N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide

C21H21F6NO2 — CID 11553802

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H21F6NO2/c1-14(2)28(18(29)13-8-15-6-4-3-5-7-15)17-11-9-16(10-12-17)19(30,20(22,23)24)21(25,26)27/h3-7,9-12,14,30H,8,13H2,1-2H3
InChIKeyFEYGDRFAPXYVOO-UHFFFAOYSA-N
MW433.39 g/mol
LogP5.37
Rot. Bonds6

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 11553802) has the molecular formula C21H21F6NO2 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID11553802
Molecular FormulaC21H21F6NO2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H21F6NO2/c1-14(2)28(18(29)13-8-15-6-4-3-5-7-15)17-11-9-16(10-12-17)19(30,20(22,23)24)21(25,26)27/h3-7,9-12,14,30H,8,13H2,1-2H3
InChIKeyFEYGDRFAPXYVOO-UHFFFAOYSA-N
XLogP5.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide (CID 11553802) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide is CC(C)N(C(=O)CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is FEYGDRFAPXYVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F6NO2/c1-14(2)28(18(29)13-8-15-6-4-3-5-7-15)17-11-9-16(10-12-17)19(30,20(22,23)24)21(25,26)27/h3-7,9-12,14,30H,8,13H2,1-2H3.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 433.39 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 11553802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).