1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol

C11H15ClFNO — CID 107528405

IUPAC1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-3-11(2,15)7-14-10-6-8(13)4-5-9(10)12/h4-6,14-15H,3,7H2,1-2H3
InChIKeyDYAFWMKNSNTCHF-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.05
Rot. Bonds4

About 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol

1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol (PubChem CID 107528405) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
PubChem CID107528405
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-3-11(2,15)7-14-10-6-8(13)4-5-9(10)12/h4-6,14-15H,3,7H2,1-2H3
InChIKeyDYAFWMKNSNTCHF-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
CID 114492958
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
CID 114493086
1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530
1-(3,5-difluoroanilino)-2-methylbutan-2-ol
CID 114492692
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-(2-chloro-5-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107528417
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
CID 107526967
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid
CID 107528138
3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
CID 107528793

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol (CID 107528405) is 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol is CCC(C)(O)CNc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol?
The InChIKey is DYAFWMKNSNTCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-3-11(2,15)7-14-10-6-8(13)4-5-9(10)12/h4-6,14-15H,3,7H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol?
1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 107528405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).