2,2-difluoro-1-methoxy-3-methylbutan-1-ol

C6H12F2O2 — CID 10241005

IUPAC2,2-difluoro-1-methoxy-3-methylbutan-1-ol
SMILESCOC(O)C(F)(F)C(C)C
InChIInChI=1S/C6H12F2O2/c1-4(2)6(7,8)5(9)10-3/h4-5,9H,1-3H3
InChIKeyPVFKBCZASIGFRR-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.24
Rot. Bonds3

About 2,2-difluoro-1-methoxy-3-methylbutan-1-ol

2,2-difluoro-1-methoxy-3-methylbutan-1-ol (PubChem CID 10241005) has the molecular formula C6H12F2O2 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2,2-difluoro-1-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-methoxy-3-methylbutan-1-ol
PubChem CID10241005
Molecular FormulaC6H12F2O2
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Name2,2-difluoro-1-methoxy-3-methylbutan-1-ol
SMILESCOC(O)C(F)(F)C(C)C
InChIInChI=1S/C6H12F2O2/c1-4(2)6(7,8)5(9)10-3/h4-5,9H,1-3H3
InChIKeyPVFKBCZASIGFRR-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.24
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

2,2,2-trifluoro-1-methoxyethanol
CID 9892
2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol
CID 171417876
2,2,2-tribromo-1-methoxyethanol
CID 13096273
3,3-difluoro-2-hydroxy-4-methylpentanenitrile
CID 10080551
ethane;1-methoxyethanol
CID 157348595
1-methoxy-2,2-dimethylbutan-1-ol
CID 20675645
(1,2-difluoro-2-methoxy-3-methylbutyl)phosphane
CID 170008422
methyl 2,2,3,3,4,4,5,5-octafluoro-6-hydroxy-6-methoxyhexanoate
CID 171417883
1,2,2,3-tetrafluorobutan-1-ol
CID 173218185
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
3-bromo-1-methoxy-2,2-dimethylpropan-1-ol
CID 168838897
3-hydroxy-3-methoxy-2,2-dimethylpropanal
CID 123817001

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methoxy-3-methylbutan-1-ol?
The IUPAC name of 2,2-difluoro-1-methoxy-3-methylbutan-1-ol (CID 10241005) is 2,2-difluoro-1-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 2,2-difluoro-1-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 2,2-difluoro-1-methoxy-3-methylbutan-1-ol is COC(O)C(F)(F)C(C)C.
What is the InChIKey of 2,2-difluoro-1-methoxy-3-methylbutan-1-ol?
The InChIKey is PVFKBCZASIGFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O2/c1-4(2)6(7,8)5(9)10-3/h4-5,9H,1-3H3.
What are the key properties of 2,2-difluoro-1-methoxy-3-methylbutan-1-ol?
2,2-difluoro-1-methoxy-3-methylbutan-1-ol has a molecular weight of 154.16 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 10241005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).