(4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole

C35H32F34N2O2 — CID 16753338

About (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 16753338) has the molecular formula C35H32F34N2O2 and a molecular weight of 1158.58 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 16753338
• Molecular Formula: C35H32F34N2O2
• Molecular Weight: 1158.58 g/mol
• Exact Mass: 1158.19
• IUPAC Name: (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)[C@H]1COC(C(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C2=N[C@@H](C(C)C)CO2)=N1
• InChI: InChI=1S/C35H32F34N2O2/c1-13(2)15-11-72-17(70-15)19(18-71-16(12-73-18)14(3)4,7-5-9-20(36,37)22(40,41)24(44,45)26(48,49)28(52,53)30(56,57)32(60,61)34(64,65)66)8-6-10-21(38,39)23(42,43)25(46,47)27(50,51)29(54,55)31(58,59)33(62,63)35(67,68)69/h13-16H,5-12H2,1-4H3/t15-,16-/m1/s1
• InChIKey: YGERNBUOCUHCLN-HZPDHXFCSA-N
• XLogP: 15.24
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 24
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1158.58
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole (CID 16753338) is (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C2=N[C@@H](C(C)C)CO2)=N1.

What is the InChIKey of (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole?

The InChIKey is YGERNBUOCUHCLN-HZPDHXFCSA-N. The full InChI is InChI=1S/C35H32F34N2O2/c1-13(2)15-11-72-17(70-15)19(18-71-16(12-73-18)14(3)4,7-5-9-20(36,37)22(40,41)24(44,45)26(48,49)28(52,53)30(56,57)32(60,61)34(64,65)66)8-6-10-21(38,39)23(42,43)25(46,47)27(50,51)29(54,55)31(58,59)33(62,63)35(67,68)69/h13-16H,5-12H2,1-4H3/t15-,16-/m1/s1.

What are the key properties of (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole?

(4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 1158.58 g/mol, XLogP of 15.24, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-propan-2-yl-2-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluoro-12-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]tricosan-12-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 16753338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).