3-[2-(difluoromethyl)cyclopropyl]phenol

C10H10F2O — CID 115016629

IUPAC3-[2-(difluoromethyl)cyclopropyl]phenol
SMILESOc1cccc(C2CC2C(F)F)c1
InChIInChI=1S/C10H10F2O/c11-10(12)9-5-8(9)6-2-1-3-7(13)4-6/h1-4,8-10,13H,5H2
InChIKeyLTHCJQIMRJGERY-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.76
Rot. Bonds2

About 3-[2-(difluoromethyl)cyclopropyl]phenol

3-[2-(difluoromethyl)cyclopropyl]phenol (PubChem CID 115016629) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)cyclopropyl]phenol.

Molecular Properties

Compound Name3-[2-(difluoromethyl)cyclopropyl]phenol
PubChem CID115016629
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name3-[2-(difluoromethyl)cyclopropyl]phenol
SMILESOc1cccc(C2CC2C(F)F)c1
InChIInChI=1S/C10H10F2O/c11-10(12)9-5-8(9)6-2-1-3-7(13)4-6/h1-4,8-10,13H,5H2
InChIKeyLTHCJQIMRJGERY-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)cyclopropyl]phenol?
The IUPAC name of 3-[2-(difluoromethyl)cyclopropyl]phenol (CID 115016629) is 3-[2-(difluoromethyl)cyclopropyl]phenol.
What is the SMILES notation for 3-[2-(difluoromethyl)cyclopropyl]phenol?
The canonical SMILES for 3-[2-(difluoromethyl)cyclopropyl]phenol is Oc1cccc(C2CC2C(F)F)c1.
What is the InChIKey of 3-[2-(difluoromethyl)cyclopropyl]phenol?
The InChIKey is LTHCJQIMRJGERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c11-10(12)9-5-8(9)6-2-1-3-7(13)4-6/h1-4,8-10,13H,5H2.
What are the key properties of 3-[2-(difluoromethyl)cyclopropyl]phenol?
3-[2-(difluoromethyl)cyclopropyl]phenol has a molecular weight of 184.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)cyclopropyl]phenol is sourced from PubChem (CID 115016629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).