2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline

C10H12ClF2NO — CID 102869387

IUPAC2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NC(C)C(F)F)c1
InChIInChI=1S/C10H12ClF2NO/c1-6(10(12)13)14-9-5-7(15-2)3-4-8(9)11/h3-6,10,14H,1-2H3
InChIKeyRGRHHPXKBIZNNQ-UHFFFAOYSA-N
MW235.66 g/mol
LogP3.41
Rot. Bonds4

About 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline

2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline (PubChem CID 102869387) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline.

Molecular Properties

Compound Name2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline
PubChem CID102869387
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NC(C)C(F)F)c1
InChIInChI=1S/C10H12ClF2NO/c1-6(10(12)13)14-9-5-7(15-2)3-4-8(9)11/h3-6,10,14H,1-2H3
InChIKeyRGRHHPXKBIZNNQ-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline 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

N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline
CID 102868375
2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
CID 83058858
2-(2-chloro-5-methoxyanilino)pentanoic acid
CID 83040688
2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 63454158
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695
N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate
CID 103243613
4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 83058969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline?
The IUPAC name of 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline (CID 102869387) is 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline.
What is the SMILES notation for 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline?
The canonical SMILES for 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline is COc1ccc(Cl)c(NC(C)C(F)F)c1.
What is the InChIKey of 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline?
The InChIKey is RGRHHPXKBIZNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-6(10(12)13)14-9-5-7(15-2)3-4-8(9)11/h3-6,10,14H,1-2H3.
What are the key properties of 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline?
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline has a molecular weight of 235.66 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline is sourced from PubChem (CID 102869387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).