1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane

C15H24F6 — CID 163290396

IUPAC1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane
SMILESCCCC1CC(CCC(F)(F)F)CC(CCC(F)(F)F)C1
InChIInChI=1S/C15H24F6/c1-2-3-11-8-12(4-6-14(16,17)18)10-13(9-11)5-7-15(19,20)21/h11-13H,2-10H2,1H3
InChIKeyOKRFHMPKBWRBIH-UHFFFAOYSA-N
MW318.35 g/mol
LogP6.50
Rot. Bonds6

About 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane

1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane (PubChem CID 163290396) has the molecular formula C15H24F6 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane.

Molecular Properties

Compound Name1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane
PubChem CID163290396
Molecular FormulaC15H24F6
Molecular Weight318.35 g/mol
Exact Mass318.18
IUPAC Name1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane
SMILESCCCC1CC(CCC(F)(F)F)CC(CCC(F)(F)F)C1
InChIInChI=1S/C15H24F6/c1-2-3-11-8-12(4-6-14(16,17)18)10-13(9-11)5-7-15(19,20)21/h11-13H,2-10H2,1H3
InChIKeyOKRFHMPKBWRBIH-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-3,5-dipropylcyclohexane
CID 145132341
3,3,3-trifluoropropylcyclooctane
CID 153173633
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol
CID 82957761
1,3-dimethyl-5-propylcyclohexane
CID 13144142
ethane;propane;propylcyclopropane
CID 145406182
1,3-dimethyl-5-propylcyclohexane;ethane
CID 142054568
1-propyl-3-(trifluoromethyl)cyclohexane
CID 142650129
4-propyl-1-(4,4,4-trifluorobutyl)cyclohexane-1-carboxylic acid
CID 113327536
1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane
CID 163832162
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane?
The IUPAC name of 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane (CID 163290396) is 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane.
What is the SMILES notation for 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane?
The canonical SMILES for 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane is CCCC1CC(CCC(F)(F)F)CC(CCC(F)(F)F)C1.
What is the InChIKey of 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane?
The InChIKey is OKRFHMPKBWRBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6/c1-2-3-11-8-12(4-6-14(16,17)18)10-13(9-11)5-7-15(19,20)21/h11-13H,2-10H2,1H3.
What are the key properties of 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane?
1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane has a molecular weight of 318.35 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane is sourced from PubChem (CID 163290396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).