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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Related Compounds

n-[4-Chloro-3-(trifluoromethyl)phenyl]formamide
CID 243580
cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 70689437
2-{[(5-Amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol
CID 60960377
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide
CID 2452155
2-Propanol, 1-(4-chloro-o-toluidino)-3-(isopropylamino)-, dihydrochloride
CID 209588
2-Propanol, 1-(butylamino)-3-(4-chloro-o-toluidino)-
CID 209590
4-Chloro-N-methyl-3-(trifluoromethyl)benzenamine
CID 23558986
N~1~-[4-chloro-3-(trifluoromethyl)phenyl]-N~2~-(3-hydroxypropyl)ethanediamide
CID 1713290
cis-(1R,2R)-2-(4-chloroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 172440859
2-((3-(Trifluoromethyl)phenyl)amino)ethanol
CID 15636103
Tert-butyl(4-chloro-3-trifluoromethylphenyl)amine
CID 58745559
4-chloro-3-methyl-N-propylaniline hydrochloride
CID 137951270

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).