1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol

C10H13ClFNO — CID 61472351

IUPAC1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO/c1-10(2,14)6-13-9-4-3-7(11)5-8(9)12/h3-5,13-14H,6H2,1-2H3
InChIKeyCHYUGIOVJYUOBL-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol

1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol (PubChem CID 61472351) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol
PubChem CID61472351
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO/c1-10(2,14)6-13-9-4-3-7(11)5-8(9)12/h3-5,13-14H,6H2,1-2H3
InChIKeyCHYUGIOVJYUOBL-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
3-(4-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65337978
3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643930
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 63901070
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
3-(2,4-dichloroanilino)-2,2-dimethylpropan-1-ol
CID 81413768
3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81413950
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
1-[2-(5-chloro-2-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96662686
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol (CID 61472351) is 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol is CC(C)(O)CNc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol?
The InChIKey is CHYUGIOVJYUOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-10(2,14)6-13-9-4-3-7(11)5-8(9)12/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol?
1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol has a molecular weight of 217.67 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 61472351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).