4-(5,5-difluorohexyl)-1-fluorocyclohexene

C12H19F3 — CID 58329747

IUPAC4-(5,5-difluorohexyl)-1-fluorocyclohexene
SMILESCC(F)(F)CCCCC1CC=C(F)CC1
InChIInChI=1S/C12H19F3/c1-12(14,15)9-3-2-4-10-5-7-11(13)8-6-10/h7,10H,2-6,8-9H2,1H3
InChIKeyGKCLQMNJLRMXMK-UHFFFAOYSA-N
MW220.28 g/mol
LogP4.86
Rot. Bonds5

About 4-(5,5-difluorohexyl)-1-fluorocyclohexene

4-(5,5-difluorohexyl)-1-fluorocyclohexene (PubChem CID 58329747) has the molecular formula C12H19F3 and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(5,5-difluorohexyl)-1-fluorocyclohexene.

Molecular Properties

Compound Name4-(5,5-difluorohexyl)-1-fluorocyclohexene
PubChem CID58329747
Molecular FormulaC12H19F3
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name4-(5,5-difluorohexyl)-1-fluorocyclohexene
SMILESCC(F)(F)CCCCC1CC=C(F)CC1
InChIInChI=1S/C12H19F3/c1-12(14,15)9-3-2-4-10-5-7-11(13)8-6-10/h7,10H,2-6,8-9H2,1H3
InChIKeyGKCLQMNJLRMXMK-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-difluorohexyl)-1-fluorocyclohexene?
The IUPAC name of 4-(5,5-difluorohexyl)-1-fluorocyclohexene (CID 58329747) is 4-(5,5-difluorohexyl)-1-fluorocyclohexene.
What is the SMILES notation for 4-(5,5-difluorohexyl)-1-fluorocyclohexene?
The canonical SMILES for 4-(5,5-difluorohexyl)-1-fluorocyclohexene is CC(F)(F)CCCCC1CC=C(F)CC1.
What is the InChIKey of 4-(5,5-difluorohexyl)-1-fluorocyclohexene?
The InChIKey is GKCLQMNJLRMXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3/c1-12(14,15)9-3-2-4-10-5-7-11(13)8-6-10/h7,10H,2-6,8-9H2,1H3.
What are the key properties of 4-(5,5-difluorohexyl)-1-fluorocyclohexene?
4-(5,5-difluorohexyl)-1-fluorocyclohexene has a molecular weight of 220.28 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-difluorohexyl)-1-fluorocyclohexene is sourced from PubChem (CID 58329747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).