1,1-difluoro-5-methoxy-5-methylhexan-2-ol

C8H16F2O2 — CID 103035559

IUPAC1,1-difluoro-5-methoxy-5-methylhexan-2-ol
SMILESCOC(C)(C)CCC(O)C(F)F
InChIInChI=1S/C8H16F2O2/c1-8(2,12-3)5-4-6(11)7(9)10/h6-7,11H,4-5H2,1-3H3
InChIKeyDZHWWRVBYRGASA-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.82
Rot. Bonds5

About 1,1-difluoro-5-methoxy-5-methylhexan-2-ol

1,1-difluoro-5-methoxy-5-methylhexan-2-ol (PubChem CID 103035559) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1,1-difluoro-5-methoxy-5-methylhexan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-5-methoxy-5-methylhexan-2-ol
PubChem CID103035559
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name1,1-difluoro-5-methoxy-5-methylhexan-2-ol
SMILESCOC(C)(C)CCC(O)C(F)F
InChIInChI=1S/C8H16F2O2/c1-8(2,12-3)5-4-6(11)7(9)10/h6-7,11H,4-5H2,1-3H3
InChIKeyDZHWWRVBYRGASA-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methoxy-5-methylhexan-2-ol?
The IUPAC name of 1,1-difluoro-5-methoxy-5-methylhexan-2-ol (CID 103035559) is 1,1-difluoro-5-methoxy-5-methylhexan-2-ol.
What is the SMILES notation for 1,1-difluoro-5-methoxy-5-methylhexan-2-ol?
The canonical SMILES for 1,1-difluoro-5-methoxy-5-methylhexan-2-ol is COC(C)(C)CCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-5-methoxy-5-methylhexan-2-ol?
The InChIKey is DZHWWRVBYRGASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2/c1-8(2,12-3)5-4-6(11)7(9)10/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-5-methoxy-5-methylhexan-2-ol?
1,1-difluoro-5-methoxy-5-methylhexan-2-ol has a molecular weight of 182.21 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-methoxy-5-methylhexan-2-ol is sourced from PubChem (CID 103035559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).