3-fluoro-N-methylaniline;molecular hydrogen

C7H10FN — CID 143398655

IUPAC3-fluoro-N-methylaniline;molecular hydrogen
SMILESCNc1cccc(F)c1.[H][H]
InChIInChI=1S/C7H8FN.H2/c1-9-7-4-2-3-6(8)5-7;/h2-5,9H,1H3;1H
InChIKeyKLPUARZLNCACIQ-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.11
Rot. Bonds1

About 3-fluoro-N-methylaniline;molecular hydrogen

3-fluoro-N-methylaniline;molecular hydrogen (PubChem CID 143398655) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-N-methylaniline;molecular hydrogen.

Molecular Properties

Compound Name3-fluoro-N-methylaniline;molecular hydrogen
PubChem CID143398655
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-N-methylaniline;molecular hydrogen
SMILESCNc1cccc(F)c1.[H][H]
InChIInChI=1S/C7H8FN.H2/c1-9-7-4-2-3-6(8)5-7;/h2-5,9H,1H3;1H
InChIKeyKLPUARZLNCACIQ-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-N-methylaniline;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-methylaniline
CID 2759011
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
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
CID 80760392
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
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;molecular hydrogen?
The IUPAC name of 3-fluoro-N-methylaniline;molecular hydrogen (CID 143398655) is 3-fluoro-N-methylaniline;molecular hydrogen.
What is the SMILES notation for 3-fluoro-N-methylaniline;molecular hydrogen?
The canonical SMILES for 3-fluoro-N-methylaniline;molecular hydrogen is CNc1cccc(F)c1.[H][H].
What is the InChIKey of 3-fluoro-N-methylaniline;molecular hydrogen?
The InChIKey is KLPUARZLNCACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN.H2/c1-9-7-4-2-3-6(8)5-7;/h2-5,9H,1H3;1H.
What are the key properties of 3-fluoro-N-methylaniline;molecular hydrogen?
3-fluoro-N-methylaniline;molecular hydrogen has a molecular weight of 127.16 g/mol, XLogP of 2.11, 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;molecular hydrogen is sourced from PubChem (CID 143398655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).