1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine

C16H16F3N — CID 132588713

IUPAC1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
SMILESNC(CCc1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C16H16F3N/c17-16(18,19)15(20)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10,15H,8,11,20H2
InChIKeyQNEVYIAOMUJLEX-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.18
Rot. Bonds4

About 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine

1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine (PubChem CID 132588713) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
PubChem CID132588713
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
SMILESNC(CCc1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C16H16F3N/c17-16(18,19)15(20)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10,15H,8,11,20H2
InChIKeyQNEVYIAOMUJLEX-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine;hydrochloride
CID 117047046
1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride
CID 117047105
1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine
CID 175153498
1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene
CID 139124399
1,1,1-trifluoro-4-(2-iodophenyl)butan-2-amine
CID 117046926
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692
N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide
CID 163300543
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
CID 171228019
[3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium
CID 89244514
1,1,1-trifluoro-4-(2-nitrophenyl)butan-2-amine
CID 117047399
1-(3-bromohexyl)-4-phenylbenzene
CID 65456285

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine (CID 132588713) is 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine is NC(CCc1ccc(-c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine?
The InChIKey is QNEVYIAOMUJLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-16(18,19)15(20)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10,15H,8,11,20H2.
What are the key properties of 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine?
1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine is sourced from PubChem (CID 132588713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).