3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene

C15H25F — CID 170005811

IUPAC3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene
SMILESCC(C)C1(C2CC2)C=C(CCF)CCCC1
InChIInChI=1S/C15H25F/c1-12(2)15(14-6-7-14)9-4-3-5-13(11-15)8-10-16/h11-12,14H,3-10H2,1-2H3
InChIKeyFDRAIIKSBRYIOH-UHFFFAOYSA-N
MW224.36 g/mol
LogP4.90
Rot. Bonds4

About 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene

3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene (PubChem CID 170005811) has the molecular formula C15H25F and a molecular weight of 224.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene
PubChem CID170005811
Molecular FormulaC15H25F
Molecular Weight224.36 g/mol
Exact Mass224.19
IUPAC Name3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene
SMILESCC(C)C1(C2CC2)C=C(CCF)CCCC1
InChIInChI=1S/C15H25F/c1-12(2)15(14-6-7-14)9-4-3-5-13(11-15)8-10-16/h11-12,14H,3-10H2,1-2H3
InChIKeyFDRAIIKSBRYIOH-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene?
The IUPAC name of 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene (CID 170005811) is 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene?
The canonical SMILES for 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene is CC(C)C1(C2CC2)C=C(CCF)CCCC1.
What is the InChIKey of 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene?
The InChIKey is FDRAIIKSBRYIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F/c1-12(2)15(14-6-7-14)9-4-3-5-13(11-15)8-10-16/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene?
3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene has a molecular weight of 224.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene is sourced from PubChem (CID 170005811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).