1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane

C18H32F2O2 — CID 170263540

IUPAC1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane
SMILESCCC(C)OC1CC(F)(F)CC1CC(C)OC1CCCCC1
InChIInChI=1S/C18H32F2O2/c1-4-13(2)22-17-12-18(19,20)11-15(17)10-14(3)21-16-8-6-5-7-9-16/h13-17H,4-12H2,1-3H3
InChIKeyIJDIMIIELOGTRM-UHFFFAOYSA-N
MW318.45 g/mol
LogP5.34
Rot. Bonds7

About 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane

1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane (PubChem CID 170263540) has the molecular formula C18H32F2O2 and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane
PubChem CID170263540
Molecular FormulaC18H32F2O2
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane
SMILESCCC(C)OC1CC(F)(F)CC1CC(C)OC1CCCCC1
InChIInChI=1S/C18H32F2O2/c1-4-13(2)22-17-12-18(19,20)11-15(17)10-14(3)21-16-8-6-5-7-9-16/h13-17H,4-12H2,1-3H3
InChIKeyIJDIMIIELOGTRM-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-yloxycyclohexane;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate
CID 169429935
4-butan-2-yloxypiperidine
CID 43346315
4-butan-2-yloxycyclohexane-1-carboxylic acid
CID 90797146
1-cyclohexyloxypropan-1-ol
CID 22483716
N-(2-cycloheptyloxypropyl)cyclopropanamine
CID 62460037
propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512
4-butan-2-yloxy-1-(2,2,2-trifluoroethyl)piperidine
CID 177031923
1-(1-cyclohexyloxypropan-2-yloxy)propan-2-yloxycyclohexane
CID 139806384
methyl 3-cyclohexyloxybutanoate
CID 43612104
5-butan-2-yloxybicyclo[2.1.0]pentane
CID 90886717

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane?
The IUPAC name of 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane (CID 170263540) is 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane.
What is the SMILES notation for 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane?
The canonical SMILES for 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane is CCC(C)OC1CC(F)(F)CC1CC(C)OC1CCCCC1.
What is the InChIKey of 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane?
The InChIKey is IJDIMIIELOGTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2O2/c1-4-13(2)22-17-12-18(19,20)11-15(17)10-14(3)21-16-8-6-5-7-9-16/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane?
1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane has a molecular weight of 318.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxy-4,4-difluorocyclopentyl)propan-2-yloxycyclohexane is sourced from PubChem (CID 170263540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).