1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene

C12H14F2O — CID 139420783

IUPAC1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene
SMILESCCc1c(F)c(OC)cc(C2CC2)c1F
InChIInChI=1S/C12H14F2O/c1-3-8-11(13)9(7-4-5-7)6-10(15-2)12(8)14/h6-7H,3-5H2,1-2H3
InChIKeyFVNOZSFGLMHVHE-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.41
Rot. Bonds3

About 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene

1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene (PubChem CID 139420783) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene
PubChem CID139420783
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene
SMILESCCc1c(F)c(OC)cc(C2CC2)c1F
InChIInChI=1S/C12H14F2O/c1-3-8-11(13)9(7-4-5-7)6-10(15-2)12(8)14/h6-7H,3-5H2,1-2H3
InChIKeyFVNOZSFGLMHVHE-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methoxytoluene
CID 7530
Thymyl methyl ether
CID 14104
Carvacryl methyl ether
CID 80790
1-(Cyclopropylmethyl)-4-methoxybenzene
CID 6422476
2,3-Dimethylanisole
CID 76269
Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)-
CID 161716
3-(Trifluoromethyl)anisole
CID 96691
4-Isopropylanisole
CID 77783
2-Isopropylanisole
CID 270623
3-Methoxybiphenyl
CID 257971
1-Ethyl-3-methoxybenzene
CID 66353
3,5-Dimethylanisole
CID 70126

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene?
The IUPAC name of 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene (CID 139420783) is 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene is CCc1c(F)c(OC)cc(C2CC2)c1F.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene?
The InChIKey is FVNOZSFGLMHVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-3-8-11(13)9(7-4-5-7)6-10(15-2)12(8)14/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene?
1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene has a molecular weight of 212.24 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2,4-difluoro-5-methoxybenzene is sourced from PubChem (CID 139420783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).