1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane

C20H35F — CID 19695446

IUPAC1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(/C=C/CCCF)CC2)CC1
InChIInChI=1S/C20H35F/c1-2-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-4-3-5-16-21/h4,7,17-20H,2-3,5-6,8-16H2,1H3/b7-4+
InChIKeyJMXNFNOEGSXZTL-QPJJXVBHSA-N
MW294.50 g/mol
LogP6.71
Rot. Bonds7

About 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane

1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 19695446) has the molecular formula C20H35F and a molecular weight of 294.50 g/mol. Its IUPAC name is 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
PubChem CID19695446
Molecular FormulaC20H35F
Molecular Weight294.50 g/mol
Exact Mass294.27
IUPAC Name1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(/C=C/CCCF)CC2)CC1
InChIInChI=1S/C20H35F/c1-2-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-4-3-5-16-21/h4,7,17-20H,2-3,5-6,8-16H2,1H3/b7-4+
InChIKeyJMXNFNOEGSXZTL-QPJJXVBHSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.50
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1,2,3-trifluoro-5-[2-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54111365
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-heptyl-4-[4-[(E)-5,5,5-trifluoropent-1-enyl]cyclohexyl]cyclohexane
CID 139983585
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
1-hex-1-en-5-ynyl-4-(4-pentylcyclohexyl)cyclohexane
CID 139777145

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane (CID 19695446) is 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(/C=C/CCCF)CC2)CC1.
What is the InChIKey of 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is JMXNFNOEGSXZTL-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H35F/c1-2-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-4-3-5-16-21/h4,7,17-20H,2-3,5-6,8-16H2,1H3/b7-4+.
What are the key properties of 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane?
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 294.50 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 19695446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).