3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline

C10H10Cl2FN — CID 106437425

IUPAC3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
SMILESC/C(=C/Cl)CNc1cccc(Cl)c1F
InChIInChI=1S/C10H10Cl2FN/c1-7(5-11)6-14-9-4-2-3-8(12)10(9)13/h2-5,14H,6H2,1H3/b7-5-
InChIKeySOXMBIDKOVEFQE-ALCCZGGFSA-N
MW234.10 g/mol
LogP4.03
Rot. Bonds3

About 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline

3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline (PubChem CID 106437425) has the molecular formula C10H10Cl2FN and a molecular weight of 234.10 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
PubChem CID106437425
Molecular FormulaC10H10Cl2FN
Molecular Weight234.10 g/mol
Exact Mass233.02
IUPAC Name3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
SMILESC/C(=C/Cl)CNc1cccc(Cl)c1F
InChIInChI=1S/C10H10Cl2FN/c1-7(5-11)6-14-9-4-2-3-8(12)10(9)13/h2-5,14H,6H2,1H3/b7-5-
InChIKeySOXMBIDKOVEFQE-ALCCZGGFSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437375
2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile
CID 106437488
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline
CID 106437429
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide
CID 43309689
3-chloro-2-fluoro-N-prop-2-enylaniline
CID 62139735
2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
CID 42070736
N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
CID 114188786
2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
CID 106438200
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
3-chloro-2-fluoro-N-octylaniline
CID 43129398

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline?
The IUPAC name of 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline (CID 106437425) is 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline is C/C(=C/Cl)CNc1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline?
The InChIKey is SOXMBIDKOVEFQE-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10Cl2FN/c1-7(5-11)6-14-9-4-2-3-8(12)10(9)13/h2-5,14H,6H2,1H3/b7-5-.
What are the key properties of 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline?
3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline has a molecular weight of 234.10 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline is sourced from PubChem (CID 106437425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).