4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol

C11H13ClF3NO — CID 116699478

IUPAC4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
SMILESCC(O)CCNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO/c1-7(17)2-3-16-10-5-8(11(13,14)15)4-9(12)6-10/h4-7,16-17H,2-3H2,1H3
InChIKeyPCYWEKKUOWVYIH-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.54
Rot. Bonds4

About 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol

4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol (PubChem CID 116699478) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
PubChem CID116699478
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
SMILESCC(O)CCNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO/c1-7(17)2-3-16-10-5-8(11(13,14)15)4-9(12)6-10/h4-7,16-17H,2-3H2,1H3
InChIKeyPCYWEKKUOWVYIH-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3,3-diethoxypropyl)-5-(trifluoromethyl)aniline
CID 116699508
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
3-chloro-N-(2,6-dimethylheptan-4-yl)-5-(trifluoromethyl)aniline
CID 116698994
3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 116699479
2-[3-chloro-5-(trifluoromethyl)anilino]acetonitrile
CID 116699571
4-[3-chloro-5-(trifluoromethyl)anilino]butanenitrile
CID 116699505
N-but-3-ynyl-3-chloro-5-(trifluoromethyl)aniline
CID 116699368
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575
3-chloro-N-hexan-2-yl-5-(trifluoromethyl)aniline
CID 116698988
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol (CID 116699478) is 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol is CC(O)CCNc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol?
The InChIKey is PCYWEKKUOWVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-7(17)2-3-16-10-5-8(11(13,14)15)4-9(12)6-10/h4-7,16-17H,2-3H2,1H3.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol?
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol has a molecular weight of 267.68 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol is sourced from PubChem (CID 116699478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).