5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline

C14H12F3N — CID 134631671

IUPAC5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(-c2cccc(F)c2F)ccc1F
InChIInChI=1S/C14H12F3N/c1-18(2)13-8-9(6-7-11(13)15)10-4-3-5-12(16)14(10)17/h3-8H,1-2H3
InChIKeyQLRASDJDJNQAQC-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.84
Rot. Bonds2

About 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline

5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline (PubChem CID 134631671) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline
PubChem CID134631671
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(-c2cccc(F)c2F)ccc1F
InChIInChI=1S/C14H12F3N/c1-18(2)13-8-9(6-7-11(13)15)10-4-3-5-12(16)14(10)17/h3-8H,1-2H3
InChIKeyQLRASDJDJNQAQC-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline
CID 118835632
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
5-(2,3-difluorophenyl)-2-fluorobenzaldehyde
CID 63988586
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
3-(2,3-difluorophenyl)aniline
CID 63987316
5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
CID 118806458
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline?
The IUPAC name of 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline (CID 134631671) is 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline?
The canonical SMILES for 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline is CN(C)c1cc(-c2cccc(F)c2F)ccc1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline?
The InChIKey is QLRASDJDJNQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-18(2)13-8-9(6-7-11(13)15)10-4-3-5-12(16)14(10)17/h3-8H,1-2H3.
What are the key properties of 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline?
5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline has a molecular weight of 251.25 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-2-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 134631671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).