1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol

C11H12F2O — CID 83686225

IUPAC1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol
SMILESCC(O)C1(c2cc(F)ccc2F)CC1
InChIInChI=1S/C11H12F2O/c1-7(14)11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6-7,14H,4-5H2,1H3
InChIKeyBHJWWTNWRGTJTD-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.38
Rot. Bonds2

About 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol

1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol (PubChem CID 83686225) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol
PubChem CID83686225
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol
SMILESCC(O)C1(c2cc(F)ccc2F)CC1
InChIInChI=1S/C11H12F2O/c1-7(14)11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6-7,14H,4-5H2,1H3
InChIKeyBHJWWTNWRGTJTD-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol?
The IUPAC name of 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol (CID 83686225) is 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol is CC(O)C1(c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol?
The InChIKey is BHJWWTNWRGTJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-7(14)11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol?
1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol has a molecular weight of 198.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 83686225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).