2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol

C10H18F2O2 — CID 90710421

IUPAC2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol
SMILESCOC(O)C(C)C1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2O2/c1-7(9(13)14-2)8-3-5-10(11,12)6-4-8/h7-9,13H,3-6H2,1-2H3
InChIKeyAUPJKOSGSUYKRX-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.41
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol

2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol (PubChem CID 90710421) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol
PubChem CID90710421
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol
SMILESCOC(O)C(C)C1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2O2/c1-7(9(13)14-2)8-3-5-10(11,12)6-4-8/h7-9,13H,3-6H2,1-2H3
InChIKeyAUPJKOSGSUYKRX-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane
CID 134252083
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
CID 71742057
methyl 2-(4,4-difluorocyclohexyl)propanoate
CID 76804780
(4,4-difluorocyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 105154323
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
1,1-difluoro-4-methoxycyclooctane
CID 129088845
1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
CID 105110086
(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934
1-(4,4-difluorocyclohexyl)ethylhydrazine
CID 105282609
1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol
CID 105127383
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol (CID 90710421) is 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol is COC(O)C(C)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol?
The InChIKey is AUPJKOSGSUYKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-7(9(13)14-2)8-3-5-10(11,12)6-4-8/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol?
2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol has a molecular weight of 208.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol is sourced from PubChem (CID 90710421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).