1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol

C12H18FNO — CID 114492664

IUPAC1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(2)12(3,15)8-14-11-7-5-4-6-10(11)13/h4-7,9,14-15H,8H2,1-3H3
InChIKeyCYXCAGJHHWLOLS-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.64
Rot. Bonds4

About 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol

1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol (PubChem CID 114492664) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
PubChem CID114492664
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(2)12(3,15)8-14-11-7-5-4-6-10(11)13/h4-7,9,14-15H,8H2,1-3H3
InChIKeyCYXCAGJHHWLOLS-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426
2-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 28581729
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
2-(2-fluoroanilino)-2,3-dimethylbutanoic acid
CID 62487925
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol
CID 114493258
1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111508685
N-bromo-2-fluoroaniline
CID 53446576
1-(2-bromophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120348
1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol
CID 62375666
2,3-dimethyl-1-(3-methylsulfanylanilino)butan-2-ol
CID 114492485
1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol
CID 107606330

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol (CID 114492664) is 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNc1ccccc1F.
What is the InChIKey of 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol?
The InChIKey is CYXCAGJHHWLOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)12(3,15)8-14-11-7-5-4-6-10(11)13/h4-7,9,14-15H,8H2,1-3H3.
What are the key properties of 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol?
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114492664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).