3-chloro-4-fluoro-N-methylaniline;ethane

C9H13ClFN — CID 142993697

IUPAC3-chloro-4-fluoro-N-methylaniline;ethane
SMILESCC.CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H7ClFN.C2H6/c1-10-5-2-3-7(9)6(8)4-5;1-2/h2-4,10H,1H3;1-2H3
InChIKeyKSJWJALVJYYWOM-UHFFFAOYSA-N
MW189.66 g/mol
LogP3.55
Rot. Bonds1

About 3-chloro-4-fluoro-N-methylaniline;ethane

3-chloro-4-fluoro-N-methylaniline;ethane (PubChem CID 142993697) has the molecular formula C9H13ClFN and a molecular weight of 189.66 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-methylaniline;ethane.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-methylaniline;ethane
PubChem CID142993697
Molecular FormulaC9H13ClFN
Molecular Weight189.66 g/mol
Exact Mass189.07
IUPAC Name3-chloro-4-fluoro-N-methylaniline;ethane
SMILESCC.CNc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H7ClFN.C2H6/c1-10-5-2-3-7(9)6(8)4-5;1-2/h2-4,10H,1H3;1-2H3
InChIKeyKSJWJALVJYYWOM-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.66
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-difluoro-N-methylaniline;ethane
CID 143398651
4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline
CID 173098697
3,5-dichloro-4-fluoro-N-methylaniline
CID 103579814
3,4-difluoro-N-methylaniline;methanimine
CID 144600669
3,4-dichloro-N-methylaniline;formaldehyde
CID 153392117
2-(3-chloro-4-fluorophenyl)-1,1-diethylhydrazine
CID 175273242
N-(2-bromopropan-2-yloxy)-3-chloro-4-fluoroaniline
CID 88610515
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
CID 82536210
N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809625
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
1-N-(3-chloro-4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 83705089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-methylaniline;ethane?
The IUPAC name of 3-chloro-4-fluoro-N-methylaniline;ethane (CID 142993697) is 3-chloro-4-fluoro-N-methylaniline;ethane.
What is the SMILES notation for 3-chloro-4-fluoro-N-methylaniline;ethane?
The canonical SMILES for 3-chloro-4-fluoro-N-methylaniline;ethane is CC.CNc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-methylaniline;ethane?
The InChIKey is KSJWJALVJYYWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN.C2H6/c1-10-5-2-3-7(9)6(8)4-5;1-2/h2-4,10H,1H3;1-2H3.
What are the key properties of 3-chloro-4-fluoro-N-methylaniline;ethane?
3-chloro-4-fluoro-N-methylaniline;ethane has a molecular weight of 189.66 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-methylaniline;ethane is sourced from PubChem (CID 142993697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).