6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine

C14H19F4N — CID 104889893

IUPAC6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C14H19F4N/c1-10(5-4-8-14(16,17)18)19-11(2)12-6-3-7-13(15)9-12/h3,6-7,9-11,19H,4-5,8H2,1-2H3/t10?,11-/m0/s1
InChIKeyRLLDPXMFEAONJL-DTIOYNMSSA-N
MW277.30 g/mol
LogP4.60
Rot. Bonds6

About 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine

6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine (PubChem CID 104889893) has the molecular formula C14H19F4N and a molecular weight of 277.30 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
PubChem CID104889893
Molecular FormulaC14H19F4N
Molecular Weight277.30 g/mol
Exact Mass277.15
IUPAC Name6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C14H19F4N/c1-10(5-4-8-14(16,17)18)19-11(2)12-6-3-7-13(15)9-12/h3,6-7,9-11,19H,4-5,8H2,1-2H3/t10?,11-/m0/s1
InChIKeyRLLDPXMFEAONJL-DTIOYNMSSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
CID 116534583
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine (CID 104889893) is 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine is CC(CCCC(F)(F)F)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine?
The InChIKey is RLLDPXMFEAONJL-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H19F4N/c1-10(5-4-8-14(16,17)18)19-11(2)12-6-3-7-13(15)9-12/h3,6-7,9-11,19H,4-5,8H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine has a molecular weight of 277.30 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine is sourced from PubChem (CID 104889893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).