3,4-difluoro-N-methylaniline;ethane

C9H13F2N — CID 143398651

IUPAC3,4-difluoro-N-methylaniline;ethane
SMILESCC.CNc1ccc(F)c(F)c1
InChIInChI=1S/C7H7F2N.C2H6/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;1-2H3
InChIKeyKIICZDRUBBZZQZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP3.03
Rot. Bonds1

About 3,4-difluoro-N-methylaniline;ethane

3,4-difluoro-N-methylaniline;ethane (PubChem CID 143398651) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 3,4-difluoro-N-methylaniline;ethane.

Molecular Properties

Compound Name3,4-difluoro-N-methylaniline;ethane
PubChem CID143398651
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name3,4-difluoro-N-methylaniline;ethane
SMILESCC.CNc1ccc(F)c(F)c1
InChIInChI=1S/C7H7F2N.C2H6/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;1-2H3
InChIKeyKIICZDRUBBZZQZ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-difluoro-N-methylaniline;methanimine
CID 144600669
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
4-fluoro-3-(fluoromethyl)-N-methylaniline
CID 118176037
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride
CID 155973042
[2-fluoro-4-(methylamino)phenyl]methanethiol
CID 176555737
3-(aminomethyl)-4-fluoro-N-methylaniline
CID 82502624
3,4-difluoro-N-methylsulfanylaniline
CID 123971541
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methylaniline;ethane?
The IUPAC name of 3,4-difluoro-N-methylaniline;ethane (CID 143398651) is 3,4-difluoro-N-methylaniline;ethane.
What is the SMILES notation for 3,4-difluoro-N-methylaniline;ethane?
The canonical SMILES for 3,4-difluoro-N-methylaniline;ethane is CC.CNc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-methylaniline;ethane?
The InChIKey is KIICZDRUBBZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N.C2H6/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;1-2H3.
What are the key properties of 3,4-difluoro-N-methylaniline;ethane?
3,4-difluoro-N-methylaniline;ethane has a molecular weight of 173.21 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methylaniline;ethane is sourced from PubChem (CID 143398651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).