1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene

C18H22F4 — CID 123420497

IUPAC1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)=CC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F4/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17(19)12-18(20,21)22/h8-14H,2-7H2,1H3
InChIKeyGCIJQTYGZOPISN-UHFFFAOYSA-N
MW314.37 g/mol
LogP6.63
Rot. Bonds4

About 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene

1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene (PubChem CID 123420497) has the molecular formula C18H22F4 and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
PubChem CID123420497
Molecular FormulaC18H22F4
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC Name1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)=CC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F4/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17(19)12-18(20,21)22/h8-14H,2-7H2,1H3
InChIKeyGCIJQTYGZOPISN-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.37
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132
1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 67699851
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669
1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene
CID 123873096
1-(4-pentylcyclohexyl)-4-[2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]ethynyl]benzene
CID 123660375
1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene
CID 70846462
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-(4-propylcyclohexyl)-4-[[(Z)-3,3,3-trifluoroprop-1-enoxy]methyl]benzene
CID 66809625
1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
CID 59695799

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene?
The IUPAC name of 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene (CID 123420497) is 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene.
What is the SMILES notation for 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene?
The canonical SMILES for 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene is CCCC1CCC(c2ccc(C(F)=CC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene?
The InChIKey is GCIJQTYGZOPISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17(19)12-18(20,21)22/h8-14H,2-7H2,1H3.
What are the key properties of 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene?
1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene has a molecular weight of 314.37 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene is sourced from PubChem (CID 123420497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).