5-chloro-2,3-difluoro-N-prop-2-enylaniline

C9H8ClF2N — CID 130606522

IUPAC5-chloro-2,3-difluoro-N-prop-2-enylaniline
SMILESC=CCNc1cc(Cl)cc(F)c1F
InChIInChI=1S/C9H8ClF2N/c1-2-3-13-8-5-6(10)4-7(11)9(8)12/h2,4-5,13H,1,3H2
InChIKeyIHGIYTBVNAABHI-UHFFFAOYSA-N
MW203.62 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-2,3-difluoro-N-prop-2-enylaniline

5-chloro-2,3-difluoro-N-prop-2-enylaniline (PubChem CID 130606522) has the molecular formula C9H8ClF2N and a molecular weight of 203.62 g/mol. Its IUPAC name is 5-chloro-2,3-difluoro-N-prop-2-enylaniline.

Molecular Properties

Compound Name5-chloro-2,3-difluoro-N-prop-2-enylaniline
PubChem CID130606522
Molecular FormulaC9H8ClF2N
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name5-chloro-2,3-difluoro-N-prop-2-enylaniline
SMILESC=CCNc1cc(Cl)cc(F)c1F
InChIInChI=1S/C9H8ClF2N/c1-2-3-13-8-5-6(10)4-7(11)9(8)12/h2,4-5,13H,1,3H2
InChIKeyIHGIYTBVNAABHI-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-fluoro-N-prop-2-enylaniline
CID 62139735
5-bromo-2,4-difluoro-N-prop-2-enylaniline
CID 102847120
2-chloro-1-N-prop-2-enylbenzene-1,4-diamine
CID 15219986
4-fluoro-2-methyl-N-prop-2-enylaniline
CID 62141811
4-bromo-2,6-difluoro-N-prop-2-enylaniline
CID 65469758
3,5-difluoro-N-prop-2-enylaniline
CID 62141812
4-fluoro-N,2-bis(prop-2-enyl)aniline
CID 45141264
4-fluoro-5-methoxy-1-N-prop-2-enylbenzene-1,2-diamine
CID 63599083
4-chloro-3-fluoro-2-N-prop-2-enylbenzene-1,2-diamine
CID 130507300
4-bromo-2,3-dichloro-N-prop-2-enylaniline
CID 107789045
5-chloro-N-prop-2-enylpyrimidin-2-amine
CID 79555505
4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline
CID 103591656

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-difluoro-N-prop-2-enylaniline?
The IUPAC name of 5-chloro-2,3-difluoro-N-prop-2-enylaniline (CID 130606522) is 5-chloro-2,3-difluoro-N-prop-2-enylaniline.
What is the SMILES notation for 5-chloro-2,3-difluoro-N-prop-2-enylaniline?
The canonical SMILES for 5-chloro-2,3-difluoro-N-prop-2-enylaniline is C=CCNc1cc(Cl)cc(F)c1F.
What is the InChIKey of 5-chloro-2,3-difluoro-N-prop-2-enylaniline?
The InChIKey is IHGIYTBVNAABHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N/c1-2-3-13-8-5-6(10)4-7(11)9(8)12/h2,4-5,13H,1,3H2.
What are the key properties of 5-chloro-2,3-difluoro-N-prop-2-enylaniline?
5-chloro-2,3-difluoro-N-prop-2-enylaniline has a molecular weight of 203.62 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-difluoro-N-prop-2-enylaniline is sourced from PubChem (CID 130606522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).