1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane

C11H21FO — CID 158263760

IUPAC1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
SMILESCC(C)(C)OCC1(F)CCCCC1
InChIInChI=1S/C11H21FO/c1-10(2,3)13-9-11(12)7-5-4-6-8-11/h4-9H2,1-3H3
InChIKeyUWDZODVICAOOMB-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.47
Rot. Bonds2

About 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane

1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane (PubChem CID 158263760) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
PubChem CID158263760
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
SMILESCC(C)(C)OCC1(F)CCCCC1
InChIInChI=1S/C11H21FO/c1-10(2,3)13-9-11(12)7-5-4-6-8-11/h4-9H2,1-3H3
InChIKeyUWDZODVICAOOMB-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexane, [(1,1-dimethylethoxy)methyl]-
CID 10877561
3-Fluoro-1-oxaspiro[4.5]decane
CID 12038086
4-Fluoro-1-oxaspiro[5.5]undecane
CID 102032176
1-Methoxy-1-methylcyclohexane
CID 13111011
1-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638554
[Ethoxy(difluoro)methyl]cyclohexane
CID 18725579
[Fluoro(propan-2-yloxy)methyl]cyclohexane
CID 19850336
1-Fluoro-1-(2-methoxypropan-2-yl)cyclohexane
CID 19850337
1-Fluoro-1-(propan-2-yloxymethyl)cyclohexane
CID 19850338
1-[Difluoro(propoxy)methyl]-4-fluorocyclohexane
CID 21052142
1-Fluoro-1-(3-methoxypropyl)cyclohexane
CID 57114969
2-Ethyl-2-fluoro-3-methyloxane
CID 58545281

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The IUPAC name of 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane (CID 158263760) is 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The canonical SMILES for 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane is CC(C)(C)OCC1(F)CCCCC1.
What is the InChIKey of 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The InChIKey is UWDZODVICAOOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-10(2,3)13-9-11(12)7-5-4-6-8-11/h4-9H2,1-3H3.
What are the key properties of 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane has a molecular weight of 188.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexane is sourced from PubChem (CID 158263760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).