2,2-difluoro-5-(4-propylcyclohexyl)oxane

C14H24F2O — CID 154524129

IUPAC2,2-difluoro-5-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(F)(F)OC2)CC1
InChIInChI=1S/C14H24F2O/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15,16)17-10-13/h11-13H,2-10H2,1H3
InChIKeyLFAGXHWPSAQTSN-UHFFFAOYSA-N
MW246.34 g/mol
LogP4.61
Rot. Bonds3

About 2,2-difluoro-5-(4-propylcyclohexyl)oxane

2,2-difluoro-5-(4-propylcyclohexyl)oxane (PubChem CID 154524129) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 2,2-difluoro-5-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name2,2-difluoro-5-(4-propylcyclohexyl)oxane
PubChem CID154524129
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name2,2-difluoro-5-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(F)(F)OC2)CC1
InChIInChI=1S/C14H24F2O/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15,16)17-10-13/h11-13H,2-10H2,1H3
InChIKeyLFAGXHWPSAQTSN-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
2,2-difluoro-5-[4-(4-propylphenyl)cyclohexyl]oxane
CID 154524140
2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
3-(4-propylcyclohexyl)oxane
CID 150771088
ethane;propane;propylcyclopropane
CID 145406182
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2,2-difluoro-1,3-dioxane
CID 154524113
1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane
CID 69029660
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 18643225

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-(4-propylcyclohexyl)oxane?
The IUPAC name of 2,2-difluoro-5-(4-propylcyclohexyl)oxane (CID 154524129) is 2,2-difluoro-5-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 2,2-difluoro-5-(4-propylcyclohexyl)oxane?
The canonical SMILES for 2,2-difluoro-5-(4-propylcyclohexyl)oxane is CCCC1CCC(C2CCC(F)(F)OC2)CC1.
What is the InChIKey of 2,2-difluoro-5-(4-propylcyclohexyl)oxane?
The InChIKey is LFAGXHWPSAQTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15,16)17-10-13/h11-13H,2-10H2,1H3.
What are the key properties of 2,2-difluoro-5-(4-propylcyclohexyl)oxane?
2,2-difluoro-5-(4-propylcyclohexyl)oxane has a molecular weight of 246.34 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 154524129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).