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

C18H28F4 — CID 58665493

IUPAC1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane
SMILESCC1CCC(CCC2CCC(C=C(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H28F4/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17(19)18(20,21)22/h12-16H,2-11H2,1H3
InChIKeyPFSFQFUYCBDTNL-UHFFFAOYSA-N
MW320.41 g/mol
LogP6.82
Rot. Bonds4

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

1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 58665493) has the molecular formula C18H28F4 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane
PubChem CID58665493
Molecular FormulaC18H28F4
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC Name1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane
SMILESCC1CCC(CCC2CCC(C=C(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H28F4/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17(19)18(20,21)22/h12-16H,2-11H2,1H3
InChIKeyPFSFQFUYCBDTNL-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4(4'-Propylcyclohexyl)-1-difluorovinylcyclohexane
CID 10880172
1-(3,3-Difluoroprop-2-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 14692526
1,1-Difluoro-3-(trans-4-(trans-4-pentylcyclohexyl)cyclohexyl)-1-propene
CID 14692527
1-(4,4-Difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 14692528
1-(4,4-Difluorobut-3-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 14692529
1-Butyl-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 14744733
1-(2,2-Difluoroethenyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 14744734
1-(2,2-Difluoroethenyl)-4-(4-heptylcyclohexyl)cyclohexane
CID 14744735
1-(2,2-Difluoroethenyl)-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 15906621
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane (CID 58665493) is 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane is CC1CCC(CCC2CCC(C=C(F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is PFSFQFUYCBDTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F4/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)12-17(19)18(20,21)22/h12-16H,2-11H2,1H3.
What are the key properties of 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane?
1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 320.41 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 58665493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).