2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene

C12H14F2O — CID 116841637

IUPAC2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(F)(F)C1CC1
InChIInChI=1S/C12H14F2O/c1-8-3-6-11(15-2)10(7-8)12(13,14)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3
InChIKeyXRNZYYYIBVGMLB-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.51
Rot. Bonds3

About 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene

2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene (PubChem CID 116841637) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
PubChem CID116841637
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(F)(F)C1CC1
InChIInChI=1S/C12H14F2O/c1-8-3-6-11(15-2)10(7-8)12(13,14)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3
InChIKeyXRNZYYYIBVGMLB-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
CID 116838786
4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 116838820
2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene
CID 116841642
3-[(5-chloro-2-methoxyphenyl)-difluoromethyl]pyrrolidine
CID 116839056
2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
CID 79016908
2-[difluoro(isocyanato)methyl]-1-methoxy-4-methylbenzene
CID 105466502
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
CID 116838944
2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
CID 55026470
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene (CID 116841637) is 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene is COc1ccc(C)cc1C(F)(F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene?
The InChIKey is XRNZYYYIBVGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8-3-6-11(15-2)10(7-8)12(13,14)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3.
What are the key properties of 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene?
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene has a molecular weight of 212.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 116841637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).