(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine

C16H16F3N — CID 171228019

IUPAC(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
SMILESN[C@@H](CCC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16F3N/c17-16(18,19)11-10-15(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1
InChIKeyIMTUHCRFAWWJTM-HNNXBMFYSA-N
MW279.31 g/mol
LogP4.70
Rot. Bonds4

About (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine

(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine (PubChem CID 171228019) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
PubChem CID171228019
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
SMILESN[C@@H](CCC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16F3N/c17-16(18,19)11-10-15(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1
InChIKeyIMTUHCRFAWWJTM-HNNXBMFYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-phenylphenyl)propane-1,3-diamine
CID 171208417
(1R)-3-fluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
CID 171208436
1-(4-phenylphenyl)butan-1-amine
CID 43197430
4-[(1R)-1-amino-4,4,4-trifluorobutyl]benzoic acid
CID 171198139
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230781
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butan-1-amine
CID 171207253
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067

Frequently Asked Questions

What is the IUPAC name of (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine?
The IUPAC name of (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine (CID 171228019) is (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine.
What is the SMILES notation for (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine?
The canonical SMILES for (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine is N[C@@H](CCC(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine?
The InChIKey is IMTUHCRFAWWJTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-16(18,19)11-10-15(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1.
What are the key properties of (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine?
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine is sourced from PubChem (CID 171228019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).