1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine

C18H25F6N — CID 91479214

IUPAC1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine
SMILESCCCCCC(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)NCCC
InChIInChI=1S/C18H25F6N/c1-3-5-7-12-15(14-10-8-6-9-11-14)16(19,20)17(21,22)18(23,24)25-13-4-2/h6,8-11,15,25H,3-5,7,12-13H2,1-2H3
InChIKeyYENSRCQBHOZXAC-UHFFFAOYSA-N
MW369.39 g/mol
LogP6.21
Rot. Bonds11

About 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine

1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine (PubChem CID 91479214) has the molecular formula C18H25F6N and a molecular weight of 369.39 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine
PubChem CID91479214
Molecular FormulaC18H25F6N
Molecular Weight369.39 g/mol
Exact Mass369.19
IUPAC Name1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine
SMILESCCCCCC(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)NCCC
InChIInChI=1S/C18H25F6N/c1-3-5-7-12-15(14-10-8-6-9-11-14)16(19,20)17(21,22)18(23,24)25-13-4-2/h6,8-11,15,25H,3-5,7,12-13H2,1-2H3
InChIKeyYENSRCQBHOZXAC-UHFFFAOYSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-phenyloctadecan-3-amine;hydrochloride
CID 173426899
1,1,2-triphenyltetradecan-1-amine
CID 87776795
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CID 174807736
(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
2,2-dichloroundecan-3-ylbenzene
CID 151571814
5-phenyl-4-propylpentadecan-4-amine;hydrochloride
CID 173426858
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
2-phenyl-N-propylnonan-1-amine
CID 65429485
[(2S,4S)-4-bromo-1,1,1-trifluorodecan-2-yl]benzene
CID 102462937
(10-fluoro-11-phenylhexacosan-10-yl)-trimethoxysilane
CID 175062399

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine (CID 91479214) is 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine is CCCCCC(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)NCCC.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine?
The InChIKey is YENSRCQBHOZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F6N/c1-3-5-7-12-15(14-10-8-6-9-11-14)16(19,20)17(21,22)18(23,24)25-13-4-2/h6,8-11,15,25H,3-5,7,12-13H2,1-2H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine?
1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine has a molecular weight of 369.39 g/mol, XLogP of 6.21, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4-phenyl-N-propylnonan-1-amine is sourced from PubChem (CID 91479214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).