3-fluoro-N-methylaniline

C7H8FN — CID 2759011

IUPAC3-fluoro-N-methylaniline
SMILESCNc1cccc(F)c1
InChIInChI=1S/C7H8FN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyFHYDHJXZZQCXOX-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.87
Rot. Bonds1

About 3-fluoro-N-methylaniline

3-fluoro-N-methylaniline (PubChem CID 2759011) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 3-fluoro-N-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-methylaniline
PubChem CID2759011
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name3-fluoro-N-methylaniline
SMILESCNc1cccc(F)c1
InChIInChI=1S/C7H8FN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyFHYDHJXZZQCXOX-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-methylaniline;molecular hydrogen
CID 143398655
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
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4-fluoro-3-(3-fluorophenyl)-N-methylaniline
CID 138653401
3-fluoro-N-phenylaniline
CID 2774466
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
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3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
3-iodo-N-methylaniline
CID 11075306
N-(dichloromethyl)-3-fluoroaniline
CID 174909266
1-(3-fluoroanilino)-2-(methylamino)ethanol
CID 69482385
1,3-difluorobenzene;methanol
CID 144994633

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methylaniline?
The IUPAC name of 3-fluoro-N-methylaniline (CID 2759011) is 3-fluoro-N-methylaniline.
What is the SMILES notation for 3-fluoro-N-methylaniline?
The canonical SMILES for 3-fluoro-N-methylaniline is CNc1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methylaniline?
The InChIKey is FHYDHJXZZQCXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3.
What are the key properties of 3-fluoro-N-methylaniline?
3-fluoro-N-methylaniline has a molecular weight of 125.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methylaniline is sourced from PubChem (CID 2759011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).