2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene

C11H12F2O — CID 151172035

IUPAC2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene
SMILESCOc1ccc(C(F)F)cc1C1CC1
InChIInChI=1S/C11H12F2O/c1-14-10-5-4-8(11(12)13)6-9(10)7-2-3-7/h4-7,11H,2-3H2,1H3
InChIKeyNCMHQWACILQVTA-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.51
Rot. Bonds3

About 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene

2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene (PubChem CID 151172035) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene
PubChem CID151172035
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene
SMILESCOc1ccc(C(F)F)cc1C1CC1
InChIInChI=1S/C11H12F2O/c1-14-10-5-4-8(11(12)13)6-9(10)7-2-3-7/h4-7,11H,2-3H2,1H3
InChIKeyNCMHQWACILQVTA-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82283096
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1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol
CID 117444930
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
CID 117412953
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene?
The IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene (CID 151172035) is 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene.
What is the SMILES notation for 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene?
The canonical SMILES for 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene is COc1ccc(C(F)F)cc1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene?
The InChIKey is NCMHQWACILQVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-14-10-5-4-8(11(12)13)6-9(10)7-2-3-7/h4-7,11H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene?
2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene has a molecular weight of 198.21 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-4-(difluoromethyl)-1-methoxybenzene is sourced from PubChem (CID 151172035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).