3-chloro-2-fluoro-N,N-dimethylaniline

C8H9ClFN — CID 138495185

IUPAC3-chloro-2-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cccc(Cl)c1F
InChIInChI=1S/C8H9ClFN/c1-11(2)7-5-3-4-6(9)8(7)10/h3-5H,1-2H3
InChIKeyJWXSCRHOXDSGRM-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.55
Rot. Bonds1

About 3-chloro-2-fluoro-N,N-dimethylaniline

3-chloro-2-fluoro-N,N-dimethylaniline (PubChem CID 138495185) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N,N-dimethylaniline
PubChem CID138495185
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name3-chloro-2-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cccc(Cl)c1F
InChIInChI=1S/C8H9ClFN/c1-11(2)7-5-3-4-6(9)8(7)10/h3-5H,1-2H3
InChIKeyJWXSCRHOXDSGRM-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 67610403
(Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine
CID 144729267
4-amino-N-(3-chloro-2-fluorophenyl)-N-methylbenzamide
CID 126649358
1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
CID 174739801
1-chloro-2,3-difluorobenzene
CID 157449386
3-[dimethylamino(diphenyl)methyl]-2-fluoro-N,N-dimethylaniline
CID 139919418
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline
CID 117349937
3-fluoro-N,N-dimethyl-2-(2,3,4-trichlorocyclohexa-2,4-dien-1-yl)aniline
CID 118818792
(Z)-3-amino-4-(N-amino-3-chloro-2-fluoroanilino)but-3-en-2-one
CID 129199613
2-fluoro-3-isocyanato-N,N-dimethylaniline
CID 83382925
3-chloro-N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]aniline
CID 134615440

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N,N-dimethylaniline?
The IUPAC name of 3-chloro-2-fluoro-N,N-dimethylaniline (CID 138495185) is 3-chloro-2-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 3-chloro-2-fluoro-N,N-dimethylaniline?
The canonical SMILES for 3-chloro-2-fluoro-N,N-dimethylaniline is CN(C)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N,N-dimethylaniline?
The InChIKey is JWXSCRHOXDSGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-11(2)7-5-3-4-6(9)8(7)10/h3-5H,1-2H3.
What are the key properties of 3-chloro-2-fluoro-N,N-dimethylaniline?
3-chloro-2-fluoro-N,N-dimethylaniline has a molecular weight of 173.62 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 138495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).