1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene

C12H15F — CID 142079525

IUPAC1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene
SMILESCCc1ccc(C2(C)CC2)cc1F
InChIInChI=1S/C12H15F/c1-3-9-4-5-10(8-11(9)13)12(2)6-7-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyAXSMQEPQUAQBGH-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.44
Rot. Bonds2

About 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene

1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene (PubChem CID 142079525) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene
PubChem CID142079525
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene
SMILESCCc1ccc(C2(C)CC2)cc1F
InChIInChI=1S/C12H15F/c1-3-9-4-5-10(8-11(9)13)12(2)6-7-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyAXSMQEPQUAQBGH-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
CID 143403247
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464
N-[(1S)-1-[2-fluoro-4-(1-methylcyclopropyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 89479061
carbon dioxide;4-ethyl-3-fluoroaniline
CID 158926193
1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 170009086
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
CID 107129482
2-(1-methylcyclopropyl)naphthalene
CID 10511657
1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone
CID 161152364
1-(3,4-diethylphenyl)cyclobutan-1-amine
CID 117292089
N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342641

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene?
The IUPAC name of 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene (CID 142079525) is 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene.
What is the SMILES notation for 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene?
The canonical SMILES for 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene is CCc1ccc(C2(C)CC2)cc1F.
What is the InChIKey of 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene?
The InChIKey is AXSMQEPQUAQBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-3-9-4-5-10(8-11(9)13)12(2)6-7-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene?
1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene has a molecular weight of 178.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-4-(1-methylcyclopropyl)benzene is sourced from PubChem (CID 142079525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).