N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline

C10H10ClF2N — CID 106437391

IUPACN-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline
SMILESC/C(=C/Cl)CNc1cc(F)cc(F)c1
InChIInChI=1S/C10H10ClF2N/c1-7(5-11)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3/b7-5-
InChIKeySNTRKSCBMRSCRL-ALCCZGGFSA-N
MW217.65 g/mol
LogP3.52
Rot. Bonds3

About N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline

N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline (PubChem CID 106437391) 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]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline
PubChem CID106437391
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline
SMILESC/C(=C/Cl)CNc1cc(F)cc(F)c1
InChIInChI=1S/C10H10ClF2N/c1-7(5-11)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3/b7-5-
InChIKeySNTRKSCBMRSCRL-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

3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline
CID 106437333
5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
CID 106437691
N-[(E)-3-chloro-2-methylprop-2-enyl]-3-methylsulfanylaniline
CID 106437281
N-[(E)-3-chloro-2-methylprop-2-enyl]-3,4-dimethoxyaniline
CID 106437326
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437375
N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-(difluoromethoxy)aniline
CID 106437440
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
1-(3-fluoro-5-methylanilino)propan-2-one
CID 143897845
2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
CID 106438200
(E)-3-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437925
(Z)-3-methyl-4-(3,4,5-trifluoroanilino)but-2-enoic acid
CID 103249519
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline?
The IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline (CID 106437391) is N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline?
The canonical SMILES for N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline is C/C(=C/Cl)CNc1cc(F)cc(F)c1.
What is the InChIKey of N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline?
The InChIKey is SNTRKSCBMRSCRL-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10ClF2N/c1-7(5-11)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3/b7-5-.
What are the key properties of N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline?
N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-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]-3,5-difluoroaniline is sourced from PubChem (CID 106437391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).