2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline

C10H13ClFN — CID 155709424

IUPAC2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline
SMILESCC(C)(CF)c1cccc(Cl)c1N
InChIInChI=1S/C10H13ClFN/c1-10(2,6-12)7-4-3-5-8(11)9(7)13/h3-5H,6,13H2,1-2H3
InChIKeyCDFWKWBNYMRTSH-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline

2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline (PubChem CID 155709424) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline
PubChem CID155709424
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline
SMILESCC(C)(CF)c1cccc(Cl)c1N
InChIInChI=1S/C10H13ClFN/c1-10(2,6-12)7-4-3-5-8(11)9(7)13/h3-5H,6,13H2,1-2H3
InChIKeyCDFWKWBNYMRTSH-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline 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

2-Chloro-6-methylaniline
CID 6897
2-Chloro-4,6-dimethylaniline
CID 113033
4-Chloro-2,6-dimethylaniline
CID 5073362
2-Chloro-6-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
CID 117632184
2-Chloro-6-(trifluoromethyl)aniline
CID 2756384
3-Chloro-biphenyl-4-ylamine
CID 21959
4-Chloro-2-phenylaniline
CID 239637
2-Chloro-6-methylsulfanylmethyl-phenylamine
CID 326709
4-Chloro-2-ethylaniline
CID 34871
2-Tert-butyl-5-chloroaniline
CID 520199
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
CID 10019496
2-Chloro-4-isopropylaniline
CID 12667941

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline?
The IUPAC name of 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline (CID 155709424) is 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline?
The canonical SMILES for 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline is CC(C)(CF)c1cccc(Cl)c1N.
What is the InChIKey of 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline?
The InChIKey is CDFWKWBNYMRTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-10(2,6-12)7-4-3-5-8(11)9(7)13/h3-5H,6,13H2,1-2H3.
What are the key properties of 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline?
2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline has a molecular weight of 201.67 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-fluoro-2-methylpropan-2-yl)aniline is sourced from PubChem (CID 155709424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).