1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane

C17H29F3 — CID 11173805

IUPAC1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C17H29F3/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18,19)20/h13-16H,2-12H2,1H3
InChIKeyXDVSVXVDGKRJBB-UHFFFAOYSA-N
MW290.41 g/mol
LogP6.35
Rot. Bonds4

About 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane

1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane (PubChem CID 11173805) has the molecular formula C17H29F3 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
PubChem CID11173805
Molecular FormulaC17H29F3
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C17H29F3/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18,19)20/h13-16H,2-12H2,1H3
InChIKeyXDVSVXVDGKRJBB-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2,3,3,3-pentafluoropropyl)-4-(4-propylcyclohexyl)cyclohexane
CID 23236775
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
3-propylbicyclo[4.2.0]octane
CID 145186098
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
N-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methyl]methanimine
CID 126626393

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane (CID 11173805) is 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane is CCCC1CCC(C2CCC(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane?
The InChIKey is XDVSVXVDGKRJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F3/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18,19)20/h13-16H,2-12H2,1H3.
What are the key properties of 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane?
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane has a molecular weight of 290.41 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 11173805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).