1,1-bis(2,2,2-trifluoroethoxy)cyclohexane

C10H14F6O2 — CID 18927547

IUPAC1,1-bis(2,2,2-trifluoroethoxy)cyclohexane
SMILESFC(F)(F)COC1(OCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H14F6O2/c11-9(12,13)6-17-8(4-2-1-3-5-8)18-7-10(14,15)16/h1-7H2
InChIKeyPKLHTRILIPMGHV-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.80
Rot. Bonds4

About 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane

1,1-bis(2,2,2-trifluoroethoxy)cyclohexane (PubChem CID 18927547) has the molecular formula C10H14F6O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane.

Molecular Properties

Compound Name1,1-bis(2,2,2-trifluoroethoxy)cyclohexane
PubChem CID18927547
Molecular FormulaC10H14F6O2
Molecular Weight280.21 g/mol
Exact Mass280.09
IUPAC Name1,1-bis(2,2,2-trifluoroethoxy)cyclohexane
SMILESFC(F)(F)COC1(OCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H14F6O2/c11-9(12,13)6-17-8(4-2-1-3-5-8)18-7-10(14,15)16/h1-7H2
InChIKeyPKLHTRILIPMGHV-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 22225014
1-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)oxypentane
CID 19761968
5-(2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 19761973
1,1-Bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane
CID 54509844
1-[1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propan-2-yl]oxypentane
CID 60025017
(2-Cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane
CID 87117951
(1-Cyclohexyloxy-1,2,2,3,3,3-hexafluoropropoxy)cyclohexane
CID 91248631
9,9,10,10-Tetrafluoro-7,12-dioxaspiro[5.6]dodecane
CID 118908206
1,1-Diethoxy-4,4-difluorocyclohexane
CID 154177240
3,3-Diethoxy-1,1,2,2,5,5,6,6-octafluorohexane
CID 169723733
9,9-Difluoro-1,5-dioxaspiro[5.5]undecane
CID 175895773
1,1,2,2,3,3,4,4-Octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-yl]oxypentane
CID 10438735

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane?
The IUPAC name of 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane (CID 18927547) is 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane.
What is the SMILES notation for 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane?
The canonical SMILES for 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane is FC(F)(F)COC1(OCC(F)(F)F)CCCCC1.
What is the InChIKey of 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane?
The InChIKey is PKLHTRILIPMGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O2/c11-9(12,13)6-17-8(4-2-1-3-5-8)18-7-10(14,15)16/h1-7H2.
What are the key properties of 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane?
1,1-bis(2,2,2-trifluoroethoxy)cyclohexane has a molecular weight of 280.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,2,2-trifluoroethoxy)cyclohexane is sourced from PubChem (CID 18927547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).