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

C17H26F6O2 — CID 140500145

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane
SMILESCOC1CCC(C(C2CCCC(OC)C2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H26F6O2/c1-24-13-8-6-11(7-9-13)15(16(18,19)20,17(21,22)23)12-4-3-5-14(10-12)25-2/h11-14H,3-10H2,1-2H3
InChIKeyFDZCASIVMXBZDZ-UHFFFAOYSA-N
MW376.38 g/mol
LogP5.51
Rot. Bonds4

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

1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane (PubChem CID 140500145) has the molecular formula C17H26F6O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane
PubChem CID140500145
Molecular FormulaC17H26F6O2
Molecular Weight376.38 g/mol
Exact Mass376.18
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane
SMILESCOC1CCC(C(C2CCCC(OC)C2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H26F6O2/c1-24-13-8-6-11(7-9-13)15(16(18,19)20,17(21,22)23)12-4-3-5-14(10-12)25-2/h11-14H,3-10H2,1-2H3
InChIKeyFDZCASIVMXBZDZ-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane with MolForge

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Related Compounds

1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane
CID 171730264
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
methoxycyclopentane;dihydrate
CID 159895201
methoxycyclooctane
CID 551195
azane;methoxycyclopentane
CID 70270429
4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine
CID 54091079
[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 140502494
trans-(1S,3S)-3-methoxycyclohexane-1-thiol
CID 146570954
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
3-chloro-4-[4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]oxy-2-(methoxymethyl)pyridine
CID 19032575

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane (CID 140500145) is 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane is COC1CCC(C(C2CCCC(OC)C2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane?
The InChIKey is FDZCASIVMXBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F6O2/c1-24-13-8-6-11(7-9-13)15(16(18,19)20,17(21,22)23)12-4-3-5-14(10-12)25-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane?
1-[1,1,1,3,3,3-hexafluoro-2-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane has a molecular weight of 376.38 g/mol, XLogP of 5.51, 4 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-(3-methoxycyclohexyl)propan-2-yl]-4-methoxycyclohexane is sourced from PubChem (CID 140500145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).