1-[2-(2-fluorophenyl)cyclopropyl]ethanol

C11H13FO — CID 43828893

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]ethanol
SMILESCC(O)C1CC1c1ccccc1F
InChIInChI=1S/C11H13FO/c1-7(13)9-6-10(9)8-4-2-3-5-11(8)12/h2-5,7,9-10,13H,6H2,1H3
InChIKeyINGHJOQUPRFQII-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.31
Rot. Bonds2

About 1-[2-(2-fluorophenyl)cyclopropyl]ethanol

1-[2-(2-fluorophenyl)cyclopropyl]ethanol (PubChem CID 43828893) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]ethanol
PubChem CID43828893
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]ethanol
SMILESCC(O)C1CC1c1ccccc1F
InChIInChI=1S/C11H13FO/c1-7(13)9-6-10(9)8-4-2-3-5-11(8)12/h2-5,7,9-10,13H,6H2,1H3
InChIKeyINGHJOQUPRFQII-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]ethanol?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]ethanol (CID 43828893) is 1-[2-(2-fluorophenyl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]ethanol?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]ethanol is CC(O)C1CC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]ethanol?
The InChIKey is INGHJOQUPRFQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-7(13)9-6-10(9)8-4-2-3-5-11(8)12/h2-5,7,9-10,13H,6H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]ethanol?
1-[2-(2-fluorophenyl)cyclopropyl]ethanol has a molecular weight of 180.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 43828893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).