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4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol

C8H14F2O2 — CID 155821926

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol
SMILESCOCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C8H14F2O2/c1-12-6-7(11)2-4-8(9,10)5-3-7/h11H,2-6H2,1H3
InChIKeyYCMJWDRCINRYBH-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.57
Rot. Bonds2

About 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol

4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol (PubChem CID 155821926) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol
PubChem CID155821926
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol
SMILESCOCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C8H14F2O2/c1-12-6-7(11)2-4-8(9,10)5-3-7/h11H,2-6H2,1H3
InChIKeyYCMJWDRCINRYBH-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol?
The IUPAC name of 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol (CID 155821926) is 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol is COCC1(O)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol?
The InChIKey is YCMJWDRCINRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-12-6-7(11)2-4-8(9,10)5-3-7/h11H,2-6H2,1H3.
What are the key properties of 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol?
4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol has a molecular weight of 180.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(methoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 155821926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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