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

C10H11ClFN — CID 106437375

IUPACN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
SMILESC/C(=C/Cl)CNc1ccccc1F
InChIInChI=1S/C10H11ClFN/c1-8(6-11)7-13-10-5-3-2-4-9(10)12/h2-6,13H,7H2,1H3/b8-6-
InChIKeyKURWVAIQKDSEMQ-VURMDHGXSA-N
MW199.66 g/mol
LogP3.38
Rot. Bonds3

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

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline (PubChem CID 106437375) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
PubChem CID106437375
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
SMILESC/C(=C/Cl)CNc1ccccc1F
InChIInChI=1S/C10H11ClFN/c1-8(6-11)7-13-10-5-3-2-4-9(10)12/h2-6,13H,7H2,1H3/b8-6-
InChIKeyKURWVAIQKDSEMQ-VURMDHGXSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline
CID 106437429
2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile
CID 106437488
3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437425
2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
CID 106438200
N-[(E)-3-chloro-2-methylprop-2-enyl]-2-(methoxymethyl)aniline
CID 106437606
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline
CID 106437297
2-fluoro-N-(2-methylidenebutyl)aniline
CID 66045449
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-fluoro-2-methoxyaniline
CID 106437627
N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
CID 114188786
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
CID 106437871
2-(2-fluoroanilino)-N-pentan-3-ylacetamide
CID 60671369
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline?
The IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline (CID 106437375) is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline.
What is the SMILES notation for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline?
The canonical SMILES for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline is C/C(=C/Cl)CNc1ccccc1F.
What is the InChIKey of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline?
The InChIKey is KURWVAIQKDSEMQ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-8(6-11)7-13-10-5-3-2-4-9(10)12/h2-6,13H,7H2,1H3/b8-6-.
What are the key properties of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline?
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline has a molecular weight of 199.66 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline is sourced from PubChem (CID 106437375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).