(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol

C10H9ClF5NO — CID 171244725

IUPAC(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
SMILESN[C@H](c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)CO
InChIInChI=1S/C10H9ClF5NO/c11-7-3-5(8(17)9(12,13)4-18)1-2-6(7)10(14,15)16/h1-3,8,18H,4,17H2/t8-/m1/s1
InChIKeyZHQZOWCLCAUQTE-MRVPVSSYSA-N
MW289.63 g/mol
LogP2.99
Rot. Bonds3

About (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol

(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol (PubChem CID 171244725) has the molecular formula C10H9ClF5NO and a molecular weight of 289.63 g/mol. Its IUPAC name is (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
PubChem CID171244725
Molecular FormulaC10H9ClF5NO
Molecular Weight289.63 g/mol
Exact Mass289.03
IUPAC Name(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
SMILESN[C@H](c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)CO
InChIInChI=1S/C10H9ClF5NO/c11-7-3-5(8(17)9(12,13)4-18)1-2-6(7)10(14,15)16/h1-3,8,18H,4,17H2/t8-/m1/s1
InChIKeyZHQZOWCLCAUQTE-MRVPVSSYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.63
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171251448
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171234863
(1S,2R)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]butan-2-ol
CID 171271375
ethyl (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropanoate
CID 171244715
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171234883
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171215251
1-[3-chloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818368
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171242218
(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 131561206

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol?
The IUPAC name of (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol (CID 171244725) is (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol is N[C@H](c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol?
The InChIKey is ZHQZOWCLCAUQTE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9ClF5NO/c11-7-3-5(8(17)9(12,13)4-18)1-2-6(7)10(14,15)16/h1-3,8,18H,4,17H2/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol?
(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol has a molecular weight of 289.63 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 171244725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).