[1-(1-fluoroethyl)cyclopropyl]benzene

C11H13F — CID 84716993

IUPAC[1-(1-fluoroethyl)cyclopropyl]benzene
SMILESCC(F)C1(c2ccccc2)CC1
InChIInChI=1S/C11H13F/c1-9(12)11(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyPBERUSUQDFNCTI-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.08
Rot. Bonds2

About [1-(1-fluoroethyl)cyclopropyl]benzene

[1-(1-fluoroethyl)cyclopropyl]benzene (PubChem CID 84716993) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is [1-(1-fluoroethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[1-(1-fluoroethyl)cyclopropyl]benzene
PubChem CID84716993
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name[1-(1-fluoroethyl)cyclopropyl]benzene
SMILESCC(F)C1(c2ccccc2)CC1
InChIInChI=1S/C11H13F/c1-9(12)11(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyPBERUSUQDFNCTI-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [1-(1-fluoroethyl)cyclopropyl]benzene?
The IUPAC name of [1-(1-fluoroethyl)cyclopropyl]benzene (CID 84716993) is [1-(1-fluoroethyl)cyclopropyl]benzene.
What is the SMILES notation for [1-(1-fluoroethyl)cyclopropyl]benzene?
The canonical SMILES for [1-(1-fluoroethyl)cyclopropyl]benzene is CC(F)C1(c2ccccc2)CC1.
What is the InChIKey of [1-(1-fluoroethyl)cyclopropyl]benzene?
The InChIKey is PBERUSUQDFNCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-9(12)11(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of [1-(1-fluoroethyl)cyclopropyl]benzene?
[1-(1-fluoroethyl)cyclopropyl]benzene has a molecular weight of 164.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-fluoroethyl)cyclopropyl]benzene is sourced from PubChem (CID 84716993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).