5-chloro-1-ethyl-2-fluoro-3-methylbenzene

C9H10ClF — CID 130776841

IUPAC5-chloro-1-ethyl-2-fluoro-3-methylbenzene
SMILESCCc1cc(Cl)cc(C)c1F
InChIInChI=1S/C9H10ClF/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3H2,1-2H3
InChIKeyHYQZSAOOBJZHOB-UHFFFAOYSA-N
MW172.63 g/mol
LogP3.35
Rot. Bonds1

About 5-chloro-1-ethyl-2-fluoro-3-methylbenzene

5-chloro-1-ethyl-2-fluoro-3-methylbenzene (PubChem CID 130776841) has the molecular formula C9H10ClF and a molecular weight of 172.63 g/mol. Its IUPAC name is 5-chloro-1-ethyl-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name5-chloro-1-ethyl-2-fluoro-3-methylbenzene
PubChem CID130776841
Molecular FormulaC9H10ClF
Molecular Weight172.63 g/mol
Exact Mass172.05
IUPAC Name5-chloro-1-ethyl-2-fluoro-3-methylbenzene
SMILESCCc1cc(Cl)cc(C)c1F
InChIInChI=1S/C9H10ClF/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3H2,1-2H3
InChIKeyHYQZSAOOBJZHOB-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.63
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
CID 171028434
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
4-chloro-2-ethyl-6-methylaniline
CID 3018019
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949
4-chloro-2,6-diethylaniline
CID 14348967
5-chloro-2-fluoro-3-methylbenzoic acid
CID 79002360
(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
CID 84707894
1,2,5-trichloro-3-ethylbenzene
CID 70861390
1-tert-butyl-5-chloro-2-fluoro-3-methylbenzene
CID 142362659
2-(5-ethyl-2-fluoro-3-methylphenyl)acetaldehyde
CID 89075888
ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
CID 117291198

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-2-fluoro-3-methylbenzene?
The IUPAC name of 5-chloro-1-ethyl-2-fluoro-3-methylbenzene (CID 130776841) is 5-chloro-1-ethyl-2-fluoro-3-methylbenzene.
What is the SMILES notation for 5-chloro-1-ethyl-2-fluoro-3-methylbenzene?
The canonical SMILES for 5-chloro-1-ethyl-2-fluoro-3-methylbenzene is CCc1cc(Cl)cc(C)c1F.
What is the InChIKey of 5-chloro-1-ethyl-2-fluoro-3-methylbenzene?
The InChIKey is HYQZSAOOBJZHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-2-fluoro-3-methylbenzene?
5-chloro-1-ethyl-2-fluoro-3-methylbenzene has a molecular weight of 172.63 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-2-fluoro-3-methylbenzene is sourced from PubChem (CID 130776841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).