1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane

C17H28F2 — CID 18343973

IUPAC1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane
SMILESFC/C=C/C1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C17H28F2/c18-12-1-2-14-3-7-16(8-4-14)17-9-5-15(6-10-17)11-13-19/h1-2,14-17H,3-13H2/b2-1+
InChIKeyGCTPZQLSKXCWRG-OWOJBTEDSA-N
MW270.41 g/mol
LogP5.48
Rot. Bonds5

About 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane

1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 18343973) has the molecular formula C17H28F2 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane
PubChem CID18343973
Molecular FormulaC17H28F2
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane
SMILESFC/C=C/C1CCC(C2CCC(CCF)CC2)CC1
InChIInChI=1S/C17H28F2/c18-12-1-2-14-3-7-16(8-4-14)17-9-5-15(6-10-17)11-13-19/h1-2,14-17H,3-13H2/b2-1+
InChIKeyGCTPZQLSKXCWRG-OWOJBTEDSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Pen3bcH
CID 13651658
(trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-vinyl-1,1'-bi(cyclohexane)
CID 18341917
bVbcH
CID 18341918
bPebcH
CID 18724338
PeMebcH
CID 20594849
(trans,trans)-4-(Prop-1-en-1-yl)-4'-propyl-1,1'-bi(cyclohexane)
CID 22290094
4-Ethyl-4'-[(1E)-prop-1-en-1-yl]-1,1'-bi(cyclohexane)
CID 53487146
Pen5bcH
CID 53883875
Pen2bcH
CID 125478995
Cyclohexene,3-cyclohexyl-
CID 137222
Bicyclohexyl-3-ene
CID 524573
1-butyl-4-[4-[(E)-1,2-difluoroethenyl]cyclohexyl]cyclohexane
CID 134932160

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane (CID 18343973) is 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane is FC/C=C/C1CCC(C2CCC(CCF)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is GCTPZQLSKXCWRG-OWOJBTEDSA-N. The full InChI is InChI=1S/C17H28F2/c18-12-1-2-14-3-7-16(8-4-14)17-9-5-15(6-10-17)11-13-19/h1-2,14-17H,3-13H2/b2-1+.
What are the key properties of 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane?
1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 270.41 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 18343973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).