3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol

C11H15ClFNO — CID 65333189

IUPAC3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol
SMILESCC(Nc1cc(Cl)ccc1F)C(C)(C)O
InChIInChI=1S/C11H15ClFNO/c1-7(11(2,3)15)14-10-6-8(12)4-5-9(10)13/h4-7,14-15H,1-3H3
InChIKeyAMEYPTILZMFSLP-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.05
Rot. Bonds3

About 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol

3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol (PubChem CID 65333189) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol
PubChem CID65333189
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol
SMILESCC(Nc1cc(Cl)ccc1F)C(C)(C)O
InChIInChI=1S/C11H15ClFNO/c1-7(11(2,3)15)14-10-6-8(12)4-5-9(10)13/h4-7,14-15H,1-3H3
InChIKeyAMEYPTILZMFSLP-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65337978
3-(2,5-difluoroanilino)-2-methylbutan-2-ol
CID 65332839
3-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-methylbutan-2-ol
CID 65337859
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
N-(5-chloro-2-fluorophenyl)hydroxylamine
CID 156796645
3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
CID 79768647
3-(5-bromo-2-chloroanilino)-2-methylbutan-2-ol
CID 65338217
2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
CID 65332741
2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
CID 107643968
2-N-(5-chloro-2-fluorophenyl)-3-methylbutane-1,2-diamine
CID 115137933
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338
5-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43775999

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol?
The IUPAC name of 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol (CID 65333189) is 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol is CC(Nc1cc(Cl)ccc1F)C(C)(C)O.
What is the InChIKey of 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol?
The InChIKey is AMEYPTILZMFSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(11(2,3)15)14-10-6-8(12)4-5-9(10)13/h4-7,14-15H,1-3H3.
What are the key properties of 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol?
3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 65333189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).