2-chloro-4-fluoro-6-prop-1-en-2-ylaniline

C9H9ClFN — CID 146283926

IUPAC2-chloro-4-fluoro-6-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(F)cc(Cl)c1N
InChIInChI=1S/C9H9ClFN/c1-5(2)7-3-6(11)4-8(10)9(7)12/h3-4H,1,12H2,2H3
InChIKeyVYCRWUFQQPTAAK-UHFFFAOYSA-N
MW185.63 g/mol
LogP3.09
Rot. Bonds1

About 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline

2-chloro-4-fluoro-6-prop-1-en-2-ylaniline (PubChem CID 146283926) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-prop-1-en-2-ylaniline
PubChem CID146283926
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name2-chloro-4-fluoro-6-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(F)cc(Cl)c1N
InChIInChI=1S/C9H9ClFN/c1-5(2)7-3-6(11)4-8(10)9(7)12/h3-4H,1,12H2,2H3
InChIKeyVYCRWUFQQPTAAK-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2-toluidine
CID 7251
p-Chloro-o-toluidine hydrochloride
CID 18487
2-Chloro-p-toluidine
CID 12007
2-Chloro-6-methylaniline
CID 6897
2-Chloro-4-fluoro-5-methylaniline
CID 2724818
2-Chloro-4,6-dimethylaniline
CID 113033
4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
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-Amino-3-chlorobenzonitrile
CID 12627363
2,4-Dichloro-6-(trifluoromethyl)aniline
CID 1268255
2,4-Dichloro-6-methylaniline
CID 1268287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline?
The IUPAC name of 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline (CID 146283926) is 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline.
What is the SMILES notation for 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline?
The canonical SMILES for 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline is C=C(C)c1cc(F)cc(Cl)c1N.
What is the InChIKey of 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline?
The InChIKey is VYCRWUFQQPTAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c1-5(2)7-3-6(11)4-8(10)9(7)12/h3-4H,1,12H2,2H3.
What are the key properties of 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline?
2-chloro-4-fluoro-6-prop-1-en-2-ylaniline has a molecular weight of 185.63 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-prop-1-en-2-ylaniline is sourced from PubChem (CID 146283926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).