2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine

C10H7F16N — CID 71510831

IUPAC2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine
SMILESCC(F)(C(F)(F)C(F)(F)CN)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F16N/c1-3(11,5(14,15)4(12,13)2-27)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h2,27H2,1H3
InChIKeyYAQWZMSWRAHEKV-UHFFFAOYSA-N
MW445.14 g/mol
LogP5.05
Rot. Bonds7

About 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine

2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine (PubChem CID 71510831) has the molecular formula C10H7F16N and a molecular weight of 445.14 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine
PubChem CID71510831
Molecular FormulaC10H7F16N
Molecular Weight445.14 g/mol
Exact Mass445.03
IUPAC Name2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine
SMILESCC(F)(C(F)(F)C(F)(F)CN)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F16N/c1-3(11,5(14,15)4(12,13)2-27)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h2,27H2,1H3
InChIKeyYAQWZMSWRAHEKV-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.14
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine with MolForge

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Related Compounds

2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride
CID 54599144
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-methylnonan-2-amine
CID 87970536
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine
CID 154642605
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-13,13-dimethyltetradecane
CID 167303631
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
CID 2783341
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
2,2,3,3,3-pentafluoropropan-1-amine;hydroiodide
CID 140809778
1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
CID 129191399
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine?
The IUPAC name of 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine (CID 71510831) is 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine?
The canonical SMILES for 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine is CC(F)(C(F)(F)C(F)(F)CN)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine?
The InChIKey is YAQWZMSWRAHEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F16N/c1-3(11,5(14,15)4(12,13)2-27)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h2,27H2,1H3.
What are the key properties of 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine?
2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine has a molecular weight of 445.14 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-4-methylnonan-1-amine is sourced from PubChem (CID 71510831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).