4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol

C12H16F3NO — CID 68863509

IUPAC4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol
SMILESCCC(O)C(N)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-9(17)11(16)10(12(13,14)15)8-6-4-3-5-7-8/h3-7,9-11,17H,2,16H2,1H3
InChIKeyNNWPYWKGMXPFJY-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.43
Rot. Bonds4

About 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol

4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol (PubChem CID 68863509) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol.

Molecular Properties

Compound Name4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol
PubChem CID68863509
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol
SMILESCCC(O)C(N)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-9(17)11(16)10(12(13,14)15)8-6-4-3-5-7-8/h3-7,9-11,17H,2,16H2,1H3
InChIKeyNNWPYWKGMXPFJY-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 68725831
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
CID 69396432
[(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid
CID 66832312
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
6,6-diphenylhexan-3-ol
CID 57258566
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
[(1S,2R)-3,3,3-trifluoro-1,2-diphenylpropyl] acetate
CID 164670469
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
3-amino-1-phenylpentan-2-ol
CID 57155399

Frequently Asked Questions

What is the IUPAC name of 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol?
The IUPAC name of 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol (CID 68863509) is 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol.
What is the SMILES notation for 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol?
The canonical SMILES for 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol is CCC(O)C(N)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol?
The InChIKey is NNWPYWKGMXPFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-9(17)11(16)10(12(13,14)15)8-6-4-3-5-7-8/h3-7,9-11,17H,2,16H2,1H3.
What are the key properties of 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol?
4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol has a molecular weight of 247.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol is sourced from PubChem (CID 68863509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).