1-(difluoromethoxy)-3,3-dimethylbutane

C7H14F2O — CID 123378630

IUPAC1-(difluoromethoxy)-3,3-dimethylbutane
SMILESCC(C)(C)CCOC(F)F
InChIInChI=1S/C7H14F2O/c1-7(2,3)4-5-10-6(8)9/h6H,4-5H2,1-3H3
InChIKeyRNNBURPXZRWXMA-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.66
Rot. Bonds3

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

1-(difluoromethoxy)-3,3-dimethylbutane (PubChem CID 123378630) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3,3-dimethylbutane.

Molecular Properties

Compound Name1-(difluoromethoxy)-3,3-dimethylbutane
PubChem CID123378630
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-(difluoromethoxy)-3,3-dimethylbutane
SMILESCC(C)(C)CCOC(F)F
InChIInChI=1S/C7H14F2O/c1-7(2,3)4-5-10-6(8)9/h6H,4-5H2,1-3H3
InChIKeyRNNBURPXZRWXMA-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Tert-butyl-2,3-difluorooxirane
CID 12634313
1,1,1-Trifluoro-4-methoxy-2,2-bis(trifluoromethyl)butane
CID 14091758
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436
2,2-Difluoro-1-methoxy-3,3-dimethylbutane
CID 58044575
3,3-Dimethyl-1-(2,2,2-trifluoroethoxy)butane
CID 58279929
1,1,1-Trifluoro-2-methoxy-3,3-dimethylbutane
CID 58305910
1,2-Difluoro-2-(fluoromethoxymethyl)butane
CID 58587214
1,1,2-Trifluoro-1-methoxy-2-methylbutane
CID 58789610
(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane
CID 59127101
3-Methyl-1-(trifluoromethoxy)butane
CID 59366529
1-Fluoro-1-methoxy-3,3-dimethylbutane
CID 59409485
(3S)-2,2-dimethyl-3-(trifluoromethoxy)butane
CID 60139779

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3,3-dimethylbutane?
The IUPAC name of 1-(difluoromethoxy)-3,3-dimethylbutane (CID 123378630) is 1-(difluoromethoxy)-3,3-dimethylbutane.
What is the SMILES notation for 1-(difluoromethoxy)-3,3-dimethylbutane?
The canonical SMILES for 1-(difluoromethoxy)-3,3-dimethylbutane is CC(C)(C)CCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3,3-dimethylbutane?
The InChIKey is RNNBURPXZRWXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-7(2,3)4-5-10-6(8)9/h6H,4-5H2,1-3H3.
What are the key properties of 1-(difluoromethoxy)-3,3-dimethylbutane?
1-(difluoromethoxy)-3,3-dimethylbutane has a molecular weight of 152.18 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3,3-dimethylbutane is sourced from PubChem (CID 123378630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).