N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline

C10H10ClF2N — CID 106437429

IUPACN-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline
SMILESC/C(=C/Cl)CNc1c(F)cccc1F
InChIInChI=1S/C10H10ClF2N/c1-7(5-11)6-14-10-8(12)3-2-4-9(10)13/h2-5,14H,6H2,1H3/b7-5-
InChIKeyPEQZPWRFALZSIQ-ALCCZGGFSA-N
MW217.65 g/mol
LogP3.52
Rot. Bonds3

About N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline (PubChem CID 106437429) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline
PubChem CID106437429
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline
SMILESC/C(=C/Cl)CNc1c(F)cccc1F
InChIInChI=1S/C10H10ClF2N/c1-7(5-11)6-14-10-8(12)3-2-4-9(10)13/h2-5,14H,6H2,1H3/b7-5-
InChIKeyPEQZPWRFALZSIQ-ALCCZGGFSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
CID 106438200
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437375
(Z)-4-(2,6-difluoroanilino)-3-methylbut-2-enoic acid
CID 103236519
N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
CID 114188786
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
N-ethyl-2,6-difluoroaniline
CID 23270171
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
2,6-difluoro-N-propylaniline
CID 21161523
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-fluoro-2-methoxyaniline
CID 106437627
2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879085

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline?
The IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline (CID 106437429) is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline is C/C(=C/Cl)CNc1c(F)cccc1F.
What is the InChIKey of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline?
The InChIKey is PEQZPWRFALZSIQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10ClF2N/c1-7(5-11)6-14-10-8(12)3-2-4-9(10)13/h2-5,14H,6H2,1H3/b7-5-.
What are the key properties of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline?
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,6-difluoroaniline has a molecular weight of 217.65 g/mol, XLogP of 3.52, 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]-2,6-difluoroaniline is sourced from PubChem (CID 106437429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).