1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane

C23H36F6O2 — CID 171730264

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane
SMILESCOC1CCC(C(C2CCC(OC3(C)CCCCC3)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C23H36F6O2/c1-20(14-4-3-5-15-20)31-19-12-8-17(9-13-19)21(22(24,25)26,23(27,28)29)16-6-10-18(30-2)11-7-16/h16-19H,3-15H2,1-2H3
InChIKeyPIUPLTFGAPRRCX-UHFFFAOYSA-N
MW458.53 g/mol
LogP7.60
Rot. Bonds5

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane

1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane (PubChem CID 171730264) has the molecular formula C23H36F6O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane
PubChem CID171730264
Molecular FormulaC23H36F6O2
Molecular Weight458.53 g/mol
Exact Mass458.26
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane
SMILESCOC1CCC(C(C2CCC(OC3(C)CCCCC3)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C23H36F6O2/c1-20(14-4-3-5-15-20)31-19-12-8-17(9-13-19)21(22(24,25)26,23(27,28)29)16-6-10-18(30-2)11-7-16/h16-19H,3-15H2,1-2H3
InChIKeyPIUPLTFGAPRRCX-UHFFFAOYSA-N
XLogP7.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane
CID 140500145
1-cyclohexyloxy-1-methylcyclohexane
CID 57243949
4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine
CID 54091079
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
methoxycyclooctane
CID 551195
[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 140502494
1,1-difluoro-4-methoxycyclooctane
CID 129088845
1-methoxy-1-methylcyclononane
CID 123479365
1-methoxy-1-methylcyclodecane
CID 23154687
1-(cyclohexylmethyl)-4-methoxycyclohexane
CID 139535555
1-cyclohexylperoxy-1-methylcyclohexane
CID 139640231

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane (CID 171730264) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane is COC1CCC(C(C2CCC(OC3(C)CCCCC3)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane?
The InChIKey is PIUPLTFGAPRRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F6O2/c1-20(14-4-3-5-15-20)31-19-12-8-17(9-13-19)21(22(24,25)26,23(27,28)29)16-6-10-18(30-2)11-7-16/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane?
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane has a molecular weight of 458.53 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane is sourced from PubChem (CID 171730264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).