1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol

C11H12F2O — CID 117287771

IUPAC1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol
SMILESCc1ccc(C2(O)CC2)cc1C(F)F
InChIInChI=1S/C11H12F2O/c1-7-2-3-8(11(14)4-5-11)6-9(7)10(12)13/h2-3,6,10,14H,4-5H2,1H3
InChIKeyXVHBUWFKSIGYHR-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.91
Rot. Bonds2

About 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol

1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol (PubChem CID 117287771) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol
PubChem CID117287771
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol
SMILESCc1ccc(C2(O)CC2)cc1C(F)F
InChIInChI=1S/C11H12F2O/c1-7-2-3-8(11(14)4-5-11)6-9(7)10(12)13/h2-3,6,10,14H,4-5H2,1H3
InChIKeyXVHBUWFKSIGYHR-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol (CID 117287771) is 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol is Cc1ccc(C2(O)CC2)cc1C(F)F.
What is the InChIKey of 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol?
The InChIKey is XVHBUWFKSIGYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-7-2-3-8(11(14)4-5-11)6-9(7)10(12)13/h2-3,6,10,14H,4-5H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol?
1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol has a molecular weight of 198.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-methylphenyl]cyclopropan-1-ol is sourced from PubChem (CID 117287771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).