2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol

C10H11ClF3NO — CID 67087159

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol
SMILESCC(CO)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO/c1-6(5-16)15-7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,15-16H,5H2,1H3
InChIKeyOZQNRUFJWVFUMQ-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.15
Rot. Bonds3

About 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol

2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol (PubChem CID 67087159) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol
PubChem CID67087159
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol
SMILESCC(CO)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO/c1-6(5-16)15-7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,15-16H,5H2,1H3
InChIKeyOZQNRUFJWVFUMQ-UHFFFAOYSA-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 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol (CID 67087159) is 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol is CC(CO)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol?
The InChIKey is OZQNRUFJWVFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-6(5-16)15-7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,15-16H,5H2,1H3.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol?
2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-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 2-[4-chloro-3-(trifluoromethyl)anilino]propan-1-ol is sourced from PubChem (CID 67087159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).