5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine

C15H16F17N — CID 101184675

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine
SMILESCC(C)NC(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F17N/c1-6(2)33-7(3)4-5-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6-7,33H,4-5H2,1-3H3
InChIKeyGCNAMRCQDBMITE-UHFFFAOYSA-N
MW533.27 g/mol
LogP7.16
Rot. Bonds11

About 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine (PubChem CID 101184675) has the molecular formula C15H16F17N and a molecular weight of 533.27 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine
PubChem CID101184675
Molecular FormulaC15H16F17N
Molecular Weight533.27 g/mol
Exact Mass533.10
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine
SMILESCC(C)NC(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F17N/c1-6(2)33-7(3)4-5-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6-7,33H,4-5H2,1-3H3
InChIKeyGCNAMRCQDBMITE-UHFFFAOYSA-N
XLogP7.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.27
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-Trifluoroethyl)dodecan-1-amine
CID 20155646
Methyl-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amine
CID 12095891
N-trifluoroethyloctadecylamine
CID 13041690
1-Octanamine, N-(2,2,2-trifluoroethyl)-
CID 20155638
N-(2,2-Difluoroethyl)dodecan-1-amine
CID 20155641
N-(2,2,2-trifluoroethyl)hexadecan-1-amine
CID 20155645
1-Decanamine, N-(2,2,2-trifluoroethyl)-
CID 20155650
1-Heptanamine, 1-methyl, N-ethyl
CID 525053
N-(2,2,2-trifluoroethyl)tetradecan-1-amine
CID 90672457
Pentane, 2,2,3,3,4,4-hexafluoro-1,5-bisisopropylamino-
CID 101055996
N-hexyloctan-2-amine
CID 14902093
Isopropyl-n-octyl-amine
CID 15919822

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine (CID 101184675) is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine is CC(C)NC(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine?
The InChIKey is GCNAMRCQDBMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F17N/c1-6(2)33-7(3)4-5-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6-7,33H,4-5H2,1-3H3.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine?
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine has a molecular weight of 533.27 g/mol, XLogP of 7.16, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine is sourced from PubChem (CID 101184675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).