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

1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene
CID 161479920
2,3-difluoro-4-heptyl-1-methoxy-5-(4-pentylcyclohexyl)benzene;2,3-difluoro-1-methoxy-4-pentyl-5-(4-pentylcyclohexyl)benzene
CID 88609734
4-but-3-enyl-2,3-difluoro-1-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173390288
4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
CID 117456299
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086
2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
7-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,8-trifluoro-3-methoxynaphthalene
CID 20807468
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane
CID 163218709
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
(4S)-7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 15061196

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).