1-(4,4,4-trifluorobut-1-ynyl)cyclohexene

C10H11F3 — CID 154487837

IUPAC1-(4,4,4-trifluorobut-1-ynyl)cyclohexene
SMILESFC(F)(F)CC#CC1=CCCCC1
InChIInChI=1S/C10H11F3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h5H,1-3,6,8H2
InChIKeyPGAKOXDENIWXRN-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.44
Rot. Bonds

About 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene

1-(4,4,4-trifluorobut-1-ynyl)cyclohexene (PubChem CID 154487837) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(4,4,4-trifluorobut-1-ynyl)cyclohexene
PubChem CID154487837
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1-(4,4,4-trifluorobut-1-ynyl)cyclohexene
SMILESFC(F)(F)CC#CC1=CCCCC1
InChIInChI=1S/C10H11F3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h5H,1-3,6,8H2
InChIKeyPGAKOXDENIWXRN-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Ethynylcyclohexene
CID 79128
1-(Difluoromethyl)cyclohexene
CID 13431149
2-(Trifluoromethyl)cyclohexene
CID 13431162
1-(2,2,2-Trifluoroethyl)-1-cyclohexene
CID 69213320
Cyclohexene, 1-(1-propynyl)-
CID 577619
1-(Nonafluorobutyl)cyclohexene
CID 11370031
1-[2-(Trifluoromethylsulfanyl)ethynyl]cyclohexene
CID 102237163
Cyclohexenylethynyllithium
CID 10855411
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclohexene
CID 10847151
1-(1,1,2,2,2-Pentafluoroethyl)cyclohexene
CID 23233414
2,2-Difluoroethylidenecyclohexane
CID 57129017
4-Fluoro-1-(trifluoromethyl)cyclohexene
CID 68213047

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene?
The IUPAC name of 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene (CID 154487837) is 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene.
What is the SMILES notation for 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene?
The canonical SMILES for 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene is FC(F)(F)CC#CC1=CCCCC1.
What is the InChIKey of 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene?
The InChIKey is PGAKOXDENIWXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h5H,1-3,6,8H2.
What are the key properties of 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene?
1-(4,4,4-trifluorobut-1-ynyl)cyclohexene has a molecular weight of 188.19 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobut-1-ynyl)cyclohexene is sourced from PubChem (CID 154487837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).