1-ethyl-3-fluoro-2-methylbenzene

C9H11F — CID 18711825

IUPAC1-ethyl-3-fluoro-2-methylbenzene
SMILESCCc1cccc(F)c1C
InChIInChI=1S/C9H11F/c1-3-8-5-4-6-9(10)7(8)2/h4-6H,3H2,1-2H3
InChIKeyNDQCTWGDWDSTQH-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.70
Rot. Bonds1

About 1-ethyl-3-fluoro-2-methylbenzene

1-ethyl-3-fluoro-2-methylbenzene (PubChem CID 18711825) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-ethyl-3-fluoro-2-methylbenzene
PubChem CID18711825
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name1-ethyl-3-fluoro-2-methylbenzene
SMILESCCc1cccc(F)c1C
InChIInChI=1S/C9H11F/c1-3-8-5-4-6-9(10)7(8)2/h4-6H,3H2,1-2H3
InChIKeyNDQCTWGDWDSTQH-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene
CID 155712803
1-(chloromethyl)-3-fluoro-2-methylbenzene
CID 53403085
CID 155731306
CID 155731306
5-ethyl-2-fluoro-1-methylnaphthalene
CID 172577090
azane;1-ethyl-2-fluorobenzene
CID 66657049
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
3-(3-fluoro-2-methylphenyl)-2-methylpropanal
CID 91884061
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
3-ethyl-2-methylaniline
CID 19879636
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
2-ethyl-6-fluoro-N-methylaniline
CID 22769633
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-2-methylbenzene?
The IUPAC name of 1-ethyl-3-fluoro-2-methylbenzene (CID 18711825) is 1-ethyl-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-ethyl-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-ethyl-3-fluoro-2-methylbenzene is CCc1cccc(F)c1C.
What is the InChIKey of 1-ethyl-3-fluoro-2-methylbenzene?
The InChIKey is NDQCTWGDWDSTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-3-8-5-4-6-9(10)7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-fluoro-2-methylbenzene?
1-ethyl-3-fluoro-2-methylbenzene has a molecular weight of 138.18 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-2-methylbenzene is sourced from PubChem (CID 18711825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).