4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol

C12H16F3NO — CID 62881119

IUPAC4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESOCC(CCc1ccccc1)NCC(F)(F)F
InChIInChI=1S/C12H16F3NO/c13-12(14,15)9-16-11(8-17)7-6-10-4-2-1-3-5-10/h1-5,11,16-17H,6-9H2
InChIKeyQORAQIZRRPLMHL-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.13
Rot. Bonds6

About 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol

4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (PubChem CID 62881119) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
PubChem CID62881119
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESOCC(CCc1ccccc1)NCC(F)(F)F
InChIInChI=1S/C12H16F3NO/c13-12(14,15)9-16-11(8-17)7-6-10-4-2-1-3-5-10/h1-5,11,16-17H,6-9H2
InChIKeyQORAQIZRRPLMHL-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807
ethyl 4-phenyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 62879401
N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 129452595
2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 55067068
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol
CID 10591998
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
2-(2-phenylethylamino)butan-1-ol
CID 17157372
2-amino-4-phenylbutan-1-ol
CID 159249603

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The IUPAC name of 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (CID 62881119) is 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.
What is the SMILES notation for 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The canonical SMILES for 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is OCC(CCc1ccccc1)NCC(F)(F)F.
What is the InChIKey of 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The InChIKey is QORAQIZRRPLMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c13-12(14,15)9-16-11(8-17)7-6-10-4-2-1-3-5-10/h1-5,11,16-17H,6-9H2.
What are the key properties of 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol has a molecular weight of 247.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is sourced from PubChem (CID 62881119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).