ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane

C18H38F2 — CID 145089047

IUPACethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane
SMILESCC.CCC.CCCC(CC)CC1CCC(F)(F)CC1
InChIInChI=1S/C13H24F2.C3H8.C2H6/c1-3-5-11(4-2)10-12-6-8-13(14,15)9-7-12;1-3-2;1-2/h11-12H,3-10H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyXTRWECIBIGZOGI-UHFFFAOYSA-N
MW292.50 g/mol
LogP7.47
Rot. Bonds5

About ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane

ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane (PubChem CID 145089047) has the molecular formula C18H38F2 and a molecular weight of 292.50 g/mol. Its IUPAC name is ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane.

Molecular Properties

Compound Nameethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane
PubChem CID145089047
Molecular FormulaC18H38F2
Molecular Weight292.50 g/mol
Exact Mass292.29
IUPAC Nameethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane
SMILESCC.CCC.CCCC(CC)CC1CCC(F)(F)CC1
InChIInChI=1S/C13H24F2.C3H8.C2H6/c1-3-5-11(4-2)10-12-6-8-13(14,15)9-7-12;1-3-2;1-2/h11-12H,3-10H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyXTRWECIBIGZOGI-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.50
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Decylcyclohexane
CID 15713
Cyclohexane, tetradecyl-
CID 15715
Tridecylcyclohexane
CID 22327
Undecylcyclohexane
CID 40997
Dodecylcyclohexane
CID 15714
1-Cyclohexyloctadecane
CID 20514
Hexadecylcyclohexane
CID 23250
Cyclohexane, eicosyl-
CID 20511
Pentadecylcyclohexane
CID 22328
Heptadecylcyclohexane
CID 29777
Nonadecylcyclohexane
CID 89671
Pentacosylcyclohexane
CID 21572715

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane?
The IUPAC name of ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane (CID 145089047) is ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane.
What is the SMILES notation for ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane?
The canonical SMILES for ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane is CC.CCC.CCCC(CC)CC1CCC(F)(F)CC1.
What is the InChIKey of ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane?
The InChIKey is XTRWECIBIGZOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2.C3H8.C2H6/c1-3-5-11(4-2)10-12-6-8-13(14,15)9-7-12;1-3-2;1-2/h11-12H,3-10H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane?
ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane has a molecular weight of 292.50 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-ethylpentyl)-1,1-difluorocyclohexane;propane is sourced from PubChem (CID 145089047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).