1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane

C9H11F5O — CID 23236511

IUPAC1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane
SMILESFC(F)=C(OC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H11F5O/c10-8(11)7(9(12,13)14)15-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyGRFZUCWUIZHKBC-UHFFFAOYSA-N
MW230.18 g/mol
LogP4.01
Rot. Bonds2

About 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane

1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane (PubChem CID 23236511) has the molecular formula C9H11F5O and a molecular weight of 230.18 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane
PubChem CID23236511
Molecular FormulaC9H11F5O
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane
SMILESFC(F)=C(OC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H11F5O/c10-8(11)7(9(12,13)14)15-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyGRFZUCWUIZHKBC-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Cyclohexane, (1,1,2,2-tetrafluoroethoxy)-
CID 120674
2,2,2-Trifluoroethoxycyclohexane
CID 15806350
2-n-Hexyloxyperfluoropropene
CID 85958891
2,2,3,3-Tetrafluoropropyloxycyclohexane
CID 24854146
2,2,3,3,4,4,5,5-Octafluoropentoxycyclohexane
CID 129766523
3,3,3-Trifluoroprop-1-en-2-yloxycyclohexane
CID 135060956
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyloxy-cyclohexane
CID 129766398
1,1,1,3,3,3-Hexafluoropropan-2-yloxycyclohexane
CID 21638553
2,2,3,3,4,4-Hexafluorocyclopentyl cyclohexyl ether
CID 19810491
1,1,2,2,2-Pentafluoroethoxycyclohexane
CID 53936137
1,2,2,3,3,3-Hexafluoropropoxycyclohexane
CID 54233939
1,2,2-Trifluoroethenoxycyclohexane
CID 56617852

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane?
The IUPAC name of 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane (CID 23236511) is 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane.
What is the SMILES notation for 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane?
The canonical SMILES for 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane is FC(F)=C(OC1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane?
The InChIKey is GRFZUCWUIZHKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O/c10-8(11)7(9(12,13)14)15-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane?
1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane has a molecular weight of 230.18 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoroprop-1-en-2-yloxycyclohexane is sourced from PubChem (CID 23236511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).