1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane

C18H27F5 — CID 58665518

IUPAC1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(/C(F)=C(\F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H27F5/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(19)17(20)18(21,22)23/h12-15H,2-11H2,1H3/b17-16+
InChIKeyFTURIJCKMMMVEC-WUKNDPDISA-N
MW338.40 g/mol
LogP7.11
Rot. Bonds4

About 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane

1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 58665518) has the molecular formula C18H27F5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID58665518
Molecular FormulaC18H27F5
Molecular Weight338.40 g/mol
Exact Mass338.20
IUPAC Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(/C(F)=C(\F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H27F5/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(19)17(20)18(21,22)23/h12-15H,2-11H2,1H3/b17-16+
InChIKeyFTURIJCKMMMVEC-WUKNDPDISA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.40
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane (CID 58665518) is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(/C(F)=C(\F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is FTURIJCKMMMVEC-WUKNDPDISA-N. The full InChI is InChI=1S/C18H27F5/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(19)17(20)18(21,22)23/h12-15H,2-11H2,1H3/b17-16+.
What are the key properties of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 338.40 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 58665518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).