1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane

C18H26F4 — CID 58665487

IUPAC1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane
SMILESCC1CCC(/C=C/C2CCC(C=C(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H26F4/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17(19)18(20,21)22/h6-7,12-16H,2-5,8-11H2,1H3/b7-6+,17-12?
InChIKeyNLAIOQKDLYURLD-OBXSZPLLSA-N
MW318.40 g/mol
LogP6.59
Rot. Bonds3

About 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane

1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane (PubChem CID 58665487) has the molecular formula C18H26F4 and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane
PubChem CID58665487
Molecular FormulaC18H26F4
Molecular Weight318.40 g/mol
Exact Mass318.20
IUPAC Name1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane
SMILESCC1CCC(/C=C/C2CCC(C=C(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H26F4/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17(19)18(20,21)22/h6-7,12-16H,2-5,8-11H2,1H3/b7-6+,17-12?
InChIKeyNLAIOQKDLYURLD-OBXSZPLLSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 56.59
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

[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane
CID 166438808
1-(2-fluoroethyl)-4-[4-[(E)-3-fluoroprop-1-enyl]cyclohexyl]cyclohexane
CID 18343973
1-[(E)-4-fluorobut-1-enyl]-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18344060
1-(difluoromethyl)-4-[(E)-4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657540
1-(difluoromethyl)-4-[(E)-4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657541
1-(difluoromethyl)-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657542
1-ethyl-4-[(E)-4-[4-(trifluoromethyl)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657555
1-pentyl-4-[(E)-4-[4-(trifluoromethyl)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657556
1-propyl-4-[(E)-4-[4-(trifluoromethyl)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657557
1,2,3-Trifluoro-3-(4-heptylcyclohexyl)cyclohexa-1,4-diene
CID 18702610
1,6-Difluoro-6-(4-heptylcyclohexyl)cyclohexa-1,4-diene
CID 18940005
1,6-Difluoro-6-[2-(4-heptylcyclohexyl)ethyl]cyclohexa-1,4-diene
CID 18940109

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane?
The IUPAC name of 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane (CID 58665487) is 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane is CC1CCC(/C=C/C2CCC(C=C(F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane?
The InChIKey is NLAIOQKDLYURLD-OBXSZPLLSA-N. The full InChI is InChI=1S/C18H26F4/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17(19)18(20,21)22/h6-7,12-16H,2-5,8-11H2,1H3/b7-6+,17-12?.
What are the key properties of 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane?
1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane has a molecular weight of 318.40 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]cyclohexane is sourced from PubChem (CID 58665487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).