1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane

C19H29F5 — CID 23534799

IUPAC1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(/C(F)=C(/F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C19H29F5/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(20)18(21)19(22,23)24/h13-16H,2-12H2,1H3/b18-17-
InChIKeyTUJXTVOWOIIJBW-ZCXUNETKSA-N
MW352.43 g/mol
LogP7.50
Rot. Bonds5

About 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane

1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 23534799) has the molecular formula C19H29F5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane
PubChem CID23534799
Molecular FormulaC19H29F5
Molecular Weight352.43 g/mol
Exact Mass352.22
IUPAC Name1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane
SMILESCCCCC1CCC(C2CCC(/C(F)=C(/F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C19H29F5/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(20)18(21)19(22,23)24/h13-16H,2-12H2,1H3/b18-17-
InChIKeyTUJXTVOWOIIJBW-ZCXUNETKSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane
CID 58665471
1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 74060332
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
1-butyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexane
CID 57322732
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
2-[4-(4-butylcyclohexyl)cyclohexyl]prop-2-enoic acid
CID 66615371
1-butyl-4-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)cyclohexyl]cyclohexane
CID 18964463
5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)oxane
CID 154524317
1-pentyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexane
CID 57002742

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane (CID 23534799) is 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane is CCCCC1CCC(C2CCC(/C(F)=C(/F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is TUJXTVOWOIIJBW-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H29F5/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(20)18(21)19(22,23)24/h13-16H,2-12H2,1H3/b18-17-.
What are the key properties of 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane?
1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 352.43 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 23534799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).