1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane

C20H35F3O — CID 19026643

IUPAC1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane
SMILESCCCOC(CCCC1CCC(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C20H35F3O/c1-2-15-24-19(20(21,22)23)10-6-7-16-11-13-18(14-12-16)17-8-4-3-5-9-17/h16-19H,2-15H2,1H3
InChIKeyUZACTCNILOJNKD-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.90
Rot. Bonds8

About 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane

1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane (PubChem CID 19026643) has the molecular formula C20H35F3O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane
PubChem CID19026643
Molecular FormulaC20H35F3O
Molecular Weight348.49 g/mol
Exact Mass348.26
IUPAC Name1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane
SMILESCCCOC(CCCC1CCC(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C20H35F3O/c1-2-15-24-19(20(21,22)23)10-6-7-16-11-13-18(14-12-16)17-8-4-3-5-9-17/h16-19H,2-15H2,1H3
InChIKeyUZACTCNILOJNKD-UHFFFAOYSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane (CID 19026643) is 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane is CCCOC(CCCC1CCC(C2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane?
The InChIKey is UZACTCNILOJNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F3O/c1-2-15-24-19(20(21,22)23)10-6-7-16-11-13-18(14-12-16)17-8-4-3-5-9-17/h16-19H,2-15H2,1H3.
What are the key properties of 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane?
1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane has a molecular weight of 348.49 g/mol, XLogP of 6.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane is sourced from PubChem (CID 19026643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).