1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol

C11H22F2O3 — CID 103147658

IUPAC1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol
SMILESCOC(C)(C)CCC(O)CCOCC(F)F
InChIInChI=1S/C11H22F2O3/c1-11(2,15-3)6-4-9(14)5-7-16-8-10(12)13/h9-10,14H,4-8H2,1-3H3
InChIKeyVAIWFVYPVGNRCR-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.22
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol

1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol (PubChem CID 103147658) has the molecular formula C11H22F2O3 and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol
PubChem CID103147658
Molecular FormulaC11H22F2O3
Molecular Weight240.29 g/mol
Exact Mass240.15
IUPAC Name1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol
SMILESCOC(C)(C)CCC(O)CCOCC(F)F
InChIInChI=1S/C11H22F2O3/c1-11(2,15-3)6-4-9(14)5-7-16-8-10(12)13/h9-10,14H,4-8H2,1-3H3
InChIKeyVAIWFVYPVGNRCR-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-6-methyl-1-propoxyheptan-3-ol
CID 103028153
1-(2,2-difluoroethoxy)pentan-3-ol
CID 103147788
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
7-methoxy-7-methyloct-1-en-4-ol
CID 103035568
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
10-methoxy-2,2,10-trimethylundecane-1,6-diol
CID 88879135
1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-one
CID 103147041
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198
4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
CID 82003924
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
CID 82009085

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol (CID 103147658) is 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol is COC(C)(C)CCC(O)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol?
The InChIKey is VAIWFVYPVGNRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O3/c1-11(2,15-3)6-4-9(14)5-7-16-8-10(12)13/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol?
1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol has a molecular weight of 240.29 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol is sourced from PubChem (CID 103147658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).