4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline

C9H9ClF2IN — CID 107632154

IUPAC4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline
SMILESCC(Nc1ccc(Cl)cc1I)C(F)F
InChIInChI=1S/C9H9ClF2IN/c1-5(9(11)12)14-8-3-2-6(10)4-7(8)13/h2-5,9,14H,1H3
InChIKeyPBEKNRHICWDNMO-UHFFFAOYSA-N
MW331.53 g/mol
LogP4.01
Rot. Bonds3

About 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline

4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline (PubChem CID 107632154) has the molecular formula C9H9ClF2IN and a molecular weight of 331.53 g/mol. Its IUPAC name is 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline
PubChem CID107632154
Molecular FormulaC9H9ClF2IN
Molecular Weight331.53 g/mol
Exact Mass330.94
IUPAC Name4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline
SMILESCC(Nc1ccc(Cl)cc1I)C(F)F
InChIInChI=1S/C9H9ClF2IN/c1-5(9(11)12)14-8-3-2-6(10)4-7(8)13/h2-5,9,14H,1H3
InChIKeyPBEKNRHICWDNMO-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline 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

3-(4-chloro-2-iodoanilino)-2-methylbutanoic acid
CID 107635004
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466
2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
CID 107635072
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
2-(4-chloro-2-iodoanilino)butanamide
CID 107635331
4-chloro-N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 107632037
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
CID 107632024
ethyl 2-(4-chloro-2-iodoanilino)butanoate
CID 107634979
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline?
The IUPAC name of 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline (CID 107632154) is 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline?
The canonical SMILES for 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline is CC(Nc1ccc(Cl)cc1I)C(F)F.
What is the InChIKey of 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline?
The InChIKey is PBEKNRHICWDNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2IN/c1-5(9(11)12)14-8-3-2-6(10)4-7(8)13/h2-5,9,14H,1H3.
What are the key properties of 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline?
4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline has a molecular weight of 331.53 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-difluoropropan-2-yl)-2-iodoaniline is sourced from PubChem (CID 107632154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).