1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene

C12H14F2O — CID 116841666

IUPAC1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene
SMILESCCOc1ccc(C(F)(F)C2CC2)cc1
InChIInChI=1S/C12H14F2O/c1-2-15-11-7-5-10(6-8-11)12(13,14)9-3-4-9/h5-9H,2-4H2,1H3
InChIKeyMABYXAZJKLOLNV-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.59
Rot. Bonds4

About 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene

1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene (PubChem CID 116841666) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene.

Molecular Properties

Compound Name1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene
PubChem CID116841666
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene
SMILESCCOc1ccc(C(F)(F)C2CC2)cc1
InChIInChI=1S/C12H14F2O/c1-2-15-11-7-5-10(6-8-11)12(13,14)9-3-4-9/h5-9H,2-4H2,1H3
InChIKeyMABYXAZJKLOLNV-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)-dimethyl-silylsilane
CID 123596716
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759410
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 23373749
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
5-(4-ethoxyphenyl)-5,5-difluoropentanoic acid
CID 28931296

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene?
The IUPAC name of 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene (CID 116841666) is 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene.
What is the SMILES notation for 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene?
The canonical SMILES for 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene is CCOc1ccc(C(F)(F)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene?
The InChIKey is MABYXAZJKLOLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-2-15-11-7-5-10(6-8-11)12(13,14)9-3-4-9/h5-9H,2-4H2,1H3.
What are the key properties of 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene?
1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene has a molecular weight of 212.24 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene is sourced from PubChem (CID 116841666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).