1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene

C11H12F2O — CID 85090253

IUPAC1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene
SMILESFC(F)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C11H12F2O/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8,11H,1-2,7H2
InChIKeyJOKXTVLDLHCZPV-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.41
Rot. Bonds4

About 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene

1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene (PubChem CID 85090253) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene
PubChem CID85090253
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene
SMILESFC(F)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C11H12F2O/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8,11H,1-2,7H2
InChIKeyJOKXTVLDLHCZPV-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene?
The IUPAC name of 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene (CID 85090253) is 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene is FC(F)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene?
The InChIKey is JOKXTVLDLHCZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8,11H,1-2,7H2.
What are the key properties of 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene?
1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene has a molecular weight of 198.21 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-4-(difluoromethyl)benzene is sourced from PubChem (CID 85090253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).