(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol

C10H11ClF3NO — CID 171237874

IUPAC(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESN[C@H](C[C@@H](O)c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c11-7-3-1-2-6(4-7)8(16)5-9(15)10(12,13)14/h1-4,8-9,16H,5,15H2/t8-,9-/m1/s1
InChIKeyCNEXHRGSNKWPCF-RKDXNWHRSA-N
MW253.65 g/mol
LogP2.65
Rot. Bonds3

About (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol

(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 171237874) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol
PubChem CID171237874
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESN[C@H](C[C@@H](O)c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c11-7-3-1-2-6(4-7)8(16)5-9(15)10(12,13)14/h1-4,8-9,16H,5,15H2/t8-,9-/m1/s1
InChIKeyCNEXHRGSNKWPCF-RKDXNWHRSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-3-amino-4,4,4-trifluoro-1-(3-methylphenyl)butan-1-ol
CID 171237190
(1R,3S)-3-amino-1-(4-chlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236995
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918
(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236858
(1S,3S)-3-amino-1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237169
(1R,3R)-3-amino-1-(2,4-dichlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237914
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]-4-chlorophenol;hydrochloride
CID 171237545
(1R,3R)-3-amino-4,4,4-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171237779
(1S,3S)-3-amino-4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-ol;hydrochloride
CID 171237279
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
1-(3-chlorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
CID 156763405
(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236880

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol (CID 171237874) is (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol is N[C@H](C[C@@H](O)c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is CNEXHRGSNKWPCF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c11-7-3-1-2-6(4-7)8(16)5-9(15)10(12,13)14/h1-4,8-9,16H,5,15H2/t8-,9-/m1/s1.
What are the key properties of (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol?
(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 253.65 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 171237874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).