1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol

C11H13FO — CID 117278395

IUPAC1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
SMILESCC(F)c1cccc(C2(O)CC2)c1
InChIInChI=1S/C11H13FO/c1-8(12)9-3-2-4-10(7-9)11(13)5-6-11/h2-4,7-8,13H,5-6H2,1H3
InChIKeyJDJQLOMQYKTKEW-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.70
Rot. Bonds2

About 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol

1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol (PubChem CID 117278395) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
PubChem CID117278395
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
SMILESCC(F)c1cccc(C2(O)CC2)c1
InChIInChI=1S/C11H13FO/c1-8(12)9-3-2-4-10(7-9)11(13)5-6-11/h2-4,7-8,13H,5-6H2,1H3
InChIKeyJDJQLOMQYKTKEW-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol (CID 117278395) is 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol is CC(F)c1cccc(C2(O)CC2)c1.
What is the InChIKey of 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol?
The InChIKey is JDJQLOMQYKTKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-8(12)9-3-2-4-10(7-9)11(13)5-6-11/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol?
1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol has a molecular weight of 180.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117278395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).