[1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane

C14H22F6O — CID 58969682

IUPAC[1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane
SMILESCCC(C)COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O/c1-3-10(2)9-21-12(13(15,16)17,14(18,19)20)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyHVJXVVRWXWZHNV-UHFFFAOYSA-N
MW320.32 g/mol
LogP5.49
Rot. Bonds5

About [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane

[1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane (PubChem CID 58969682) has the molecular formula C14H22F6O and a molecular weight of 320.32 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane
PubChem CID58969682
Molecular FormulaC14H22F6O
Molecular Weight320.32 g/mol
Exact Mass320.16
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane
SMILESCCC(C)COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O/c1-3-10(2)9-21-12(13(15,16)17,14(18,19)20)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyHVJXVVRWXWZHNV-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.32
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexane, (1-ethoxy-1-methylethyl)-
CID 175128
(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
[Ethoxy(difluoro)methyl]cyclohexane
CID 18725579
1-[Ethoxy(difluoro)methyl]-3-methylcyclohexane
CID 18731748
1-Fluoro-1-(2-methoxypropan-2-yl)cyclohexane
CID 19850337
1-(1,1-Difluoroethyl)-1,2,2-trifluoro-5-methyl-3-octoxy-3-(trifluoromethyl)cyclohexane
CID 20781747
1-Methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 20802022
1-[Difluoro(propoxy)methyl]-4-fluorocyclohexane
CID 21052142
Pentafluoroethyl[(4'alpha-propyl-1alpha,1'beta-bi[cyclohexane]-4beta-yl)methyl] ether
CID 22506272

Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane?
The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane (CID 58969682) is [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane.
What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane is CCC(C)COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane?
The InChIKey is HVJXVVRWXWZHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F6O/c1-3-10(2)9-21-12(13(15,16)17,14(18,19)20)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane?
[1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane has a molecular weight of 320.32 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,3-hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane is sourced from PubChem (CID 58969682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).