1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane

C18H31F3 — CID 19763121

IUPAC1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
SMILESCCCC1CCC(CCC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H31F3/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(13-11-16)18(19,20)21/h14-17H,2-13H2,1H3
InChIKeyLYMXEEQUVHCCTB-UHFFFAOYSA-N
MW304.44 g/mol
LogP6.74
Rot. Bonds5

About 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane

1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 19763121) has the molecular formula C18H31F3 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
PubChem CID19763121
Molecular FormulaC18H31F3
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
SMILESCCCC1CCC(CCC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H31F3/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(13-11-16)18(19,20)21/h14-17H,2-13H2,1H3
InChIKeyLYMXEEQUVHCCTB-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane (CID 19763121) is 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane is CCCC1CCC(CCC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is LYMXEEQUVHCCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F3/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(13-11-16)18(19,20)21/h14-17H,2-13H2,1H3.
What are the key properties of 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane?
1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 304.44 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19763121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).