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

C13H17F — CID 135292786

IUPAC4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene
SMILESCCC1(c2ccc(C)c(F)c2)CC1C
InChIInChI=1S/C13H17F/c1-4-13(8-10(13)3)11-6-5-9(2)12(14)7-11/h5-7,10H,4,8H2,1-3H3
InChIKeyDXQYEJXZIWDUEV-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.82
Rot. Bonds2

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

4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene (PubChem CID 135292786) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene
PubChem CID135292786
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene
SMILESCCC1(c2ccc(C)c(F)c2)CC1C
InChIInChI=1S/C13H17F/c1-4-13(8-10(13)3)11-6-5-9(2)12(14)7-11/h5-7,10H,4,8H2,1-3H3
InChIKeyDXQYEJXZIWDUEV-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 113404865
2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene
CID 161365130
3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
CID 107129482
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
CID 107128079
1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 107128067
2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene
CID 161365131
1-(3-fluoro-4-methylphenyl)-4-pentyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 70810782
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107128224
1-[1-(3-fluoro-4-methylphenyl)cyclopropyl]piperidin-4-ol
CID 167714126

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene?
The IUPAC name of 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene (CID 135292786) is 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene is CCC1(c2ccc(C)c(F)c2)CC1C.
What is the InChIKey of 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene?
The InChIKey is DXQYEJXZIWDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-4-13(8-10(13)3)11-6-5-9(2)12(14)7-11/h5-7,10H,4,8H2,1-3H3.
What are the key properties of 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene?
4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene has a molecular weight of 192.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene is sourced from PubChem (CID 135292786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).