1-(difluoromethoxy)-2,3-dimethylbutane

C7H14F2O — CID 87431398

IUPAC1-(difluoromethoxy)-2,3-dimethylbutane
SMILESCC(C)C(C)COC(F)F
InChIInChI=1S/C7H14F2O/c1-5(2)6(3)4-10-7(8)9/h5-7H,4H2,1-3H3
InChIKeyBVFJPDJHUMKFRQ-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.52
Rot. Bonds4

About 1-(difluoromethoxy)-2,3-dimethylbutane

1-(difluoromethoxy)-2,3-dimethylbutane (PubChem CID 87431398) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,3-dimethylbutane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,3-dimethylbutane
PubChem CID87431398
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-(difluoromethoxy)-2,3-dimethylbutane
SMILESCC(C)C(C)COC(F)F
InChIInChI=1S/C7H14F2O/c1-5(2)6(3)4-10-7(8)9/h5-7H,4H2,1-3H3
InChIKeyBVFJPDJHUMKFRQ-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,3-dimethylbutane?
The IUPAC name of 1-(difluoromethoxy)-2,3-dimethylbutane (CID 87431398) is 1-(difluoromethoxy)-2,3-dimethylbutane.
What is the SMILES notation for 1-(difluoromethoxy)-2,3-dimethylbutane?
The canonical SMILES for 1-(difluoromethoxy)-2,3-dimethylbutane is CC(C)C(C)COC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2,3-dimethylbutane?
The InChIKey is BVFJPDJHUMKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-5(2)6(3)4-10-7(8)9/h5-7H,4H2,1-3H3.
What are the key properties of 1-(difluoromethoxy)-2,3-dimethylbutane?
1-(difluoromethoxy)-2,3-dimethylbutane has a molecular weight of 152.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2,3-dimethylbutane is sourced from PubChem (CID 87431398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).