1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane

C11H14F8O — CID 134374502

IUPAC1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane
SMILESCC(OCC1CCC(F)(F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F8O/c1-8(10(14,15)16,11(17,18)19)20-6-7-2-4-9(12,13)5-3-7/h7H,2-6H2,1H3
InChIKeyMQFFHYVJSWQMTM-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.71
Rot. Bonds3

About 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane

1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane (PubChem CID 134374502) has the molecular formula C11H14F8O and a molecular weight of 314.22 g/mol. Its IUPAC name is 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane
PubChem CID134374502
Molecular FormulaC11H14F8O
Molecular Weight314.22 g/mol
Exact Mass314.09
IUPAC Name1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane
SMILESCC(OCC1CCC(F)(F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F8O/c1-8(10(14,15)16,11(17,18)19)20-6-7-2-4-9(12,13)5-3-7/h7H,2-6H2,1H3
InChIKeyMQFFHYVJSWQMTM-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane with MolForge

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Related Compounds

4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol
CID 134374226
(4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate
CID 162724769
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane
CID 118217395
trans-(1S,3S)-N-[(4,4-difluorocyclohexyl)methyl]-3-methylcyclopentan-1-amine
CID 169215553
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine
CID 177148483
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496
1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
CID 134254896
5-tert-butyl-6-[(4,4-difluorocyclohexyl)methyl]cyclohexa-1,3-diene
CID 141141555
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
trifluoromethoxymethylcyclobutane
CID 142528063

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane?
The IUPAC name of 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane (CID 134374502) is 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane?
The canonical SMILES for 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane is CC(OCC1CCC(F)(F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane?
The InChIKey is MQFFHYVJSWQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F8O/c1-8(10(14,15)16,11(17,18)19)20-6-7-2-4-9(12,13)5-3-7/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane?
1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane has a molecular weight of 314.22 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane is sourced from PubChem (CID 134374502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).