(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol

C10H11ClF3NO — CID 39356772

IUPAC(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c1-6(16)5-15-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6,15-16H,5H2,1H3/t6-/m1/s1
InChIKeyROPQLXIFQDFPHV-ZCFIWIBFSA-N
MW253.65 g/mol
LogP3.15
Rot. Bonds3

About (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol

(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 39356772) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol
PubChem CID39356772
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c1-6(16)5-15-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6,15-16H,5H2,1H3/t6-/m1/s1
InChIKeyROPQLXIFQDFPHV-ZCFIWIBFSA-N
XLogP3.15
TPSA32.26 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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol (CID 39356772) is (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol is C[C@@H](O)CNc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is ROPQLXIFQDFPHV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-6(16)5-15-9-3-2-7(11)4-8(9)10(12,13)14/h2-4,6,15-16H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol?
(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 253.65 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-chloro-2-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 39356772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).