(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol

C10H10ClF4NO — CID 171236858

IUPAC(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESN[C@@H](C[C@@H](O)c1ccc(Cl)cc1F)C(F)(F)F
InChIInChI=1S/C10H10ClF4NO/c11-5-1-2-6(7(12)3-5)8(17)4-9(16)10(13,14)15/h1-3,8-9,17H,4,16H2/t8-,9+/m1/s1
InChIKeyGRABDGPLTLBIRJ-BDAKNGLRSA-N
MW271.64 g/mol
LogP2.79
Rot. Bonds3

About (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol

(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 171236858) has the molecular formula C10H10ClF4NO and a molecular weight of 271.64 g/mol. Its IUPAC name is (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
PubChem CID171236858
Molecular FormulaC10H10ClF4NO
Molecular Weight271.64 g/mol
Exact Mass271.04
IUPAC Name(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESN[C@@H](C[C@@H](O)c1ccc(Cl)cc1F)C(F)(F)F
InChIInChI=1S/C10H10ClF4NO/c11-5-1-2-6(7(12)3-5)8(17)4-9(16)10(13,14)15/h1-3,8-9,17H,4,16H2/t8-,9+/m1/s1
InChIKeyGRABDGPLTLBIRJ-BDAKNGLRSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.64
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butan-1-ol
CID 171237196
(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237874
(1R,3R)-3-amino-4,4,4-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 171237792
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171159862
(1R,3S)-3-amino-1-(4-chlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236995
4-[(1R,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]benzene-1,3-diol;hydrochloride
CID 171237887
(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237818
(1S,3R)-3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-ol
CID 171237488
(1S,3S)-3-amino-1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237169

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol (CID 171236858) is (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol is N[C@@H](C[C@@H](O)c1ccc(Cl)cc1F)C(F)(F)F.
What is the InChIKey of (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is GRABDGPLTLBIRJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10ClF4NO/c11-5-1-2-6(7(12)3-5)8(17)4-9(16)10(13,14)15/h1-3,8-9,17H,4,16H2/t8-,9+/m1/s1.
What are the key properties of (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol?
(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 271.64 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 171236858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).