1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane

C10H19FO — CID 19850337

IUPAC1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane
SMILESCOC(C)(C)C1(F)CCCCC1
InChIInChI=1S/C10H19FO/c1-9(2,12-3)10(11)7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyCENMBNAQYOYYPM-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.08
Rot. Bonds2

About 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane

1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane (PubChem CID 19850337) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane
PubChem CID19850337
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane
SMILESCOC(C)(C)C1(F)CCCCC1
InChIInChI=1S/C10H19FO/c1-9(2,12-3)10(11)7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyCENMBNAQYOYYPM-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane?
The IUPAC name of 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane (CID 19850337) is 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane.
What is the SMILES notation for 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane?
The canonical SMILES for 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane is COC(C)(C)C1(F)CCCCC1.
What is the InChIKey of 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane?
The InChIKey is CENMBNAQYOYYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-9(2,12-3)10(11)7-5-4-6-8-10/h4-8H2,1-3H3.
What are the key properties of 1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane?
1-fluoro-1-(2-methoxypropan-2-yl)cyclohexane has a molecular weight of 174.26 g/mol, XLogP of 3.08, 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-methoxypropan-2-yl)cyclohexane is sourced from PubChem (CID 19850337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).