1,1-difluoro-1-propan-2-yloxypropane

C6H12F2O — CID 154670708

IUPAC1,1-difluoro-1-propan-2-yloxypropane
SMILESCCC(F)(F)OC(C)C
InChIInChI=1S/C6H12F2O/c1-4-6(7,8)9-5(2)3/h5H,4H2,1-3H3
InChIKeyNUKZCDYIXRIPQF-UHFFFAOYSA-N
MW138.16 g/mol
LogP2.41
Rot. Bonds3

About 1,1-difluoro-1-propan-2-yloxypropane

1,1-difluoro-1-propan-2-yloxypropane (PubChem CID 154670708) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 1,1-difluoro-1-propan-2-yloxypropane.

Molecular Properties

Compound Name1,1-difluoro-1-propan-2-yloxypropane
PubChem CID154670708
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name1,1-difluoro-1-propan-2-yloxypropane
SMILESCCC(F)(F)OC(C)C
InChIInChI=1S/C6H12F2O/c1-4-6(7,8)9-5(2)3/h5H,4H2,1-3H3
InChIKeyNUKZCDYIXRIPQF-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675
fluoromethane;2-methylpropane;1,1,1-trifluoropropane
CID 161219441
2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 22979427
1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane
CID 170221405
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511
2-[2-(1,1,2-trifluoroethoxy)ethoxy]propane
CID 139683244
2-[difluoro(propan-2-yloxy)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 171417874
alumane;2,2-di(propan-2-yloxy)butanoic acid
CID 174388834
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
CID 175344436
1-bromo-2-fluoro-1-iodo-1-propan-2-yloxybutane
CID 88721950
2-methyl-2-propan-2-yloxy-1-silylbutan-1-one
CID 173236358

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-propan-2-yloxypropane?
The IUPAC name of 1,1-difluoro-1-propan-2-yloxypropane (CID 154670708) is 1,1-difluoro-1-propan-2-yloxypropane.
What is the SMILES notation for 1,1-difluoro-1-propan-2-yloxypropane?
The canonical SMILES for 1,1-difluoro-1-propan-2-yloxypropane is CCC(F)(F)OC(C)C.
What is the InChIKey of 1,1-difluoro-1-propan-2-yloxypropane?
The InChIKey is NUKZCDYIXRIPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-4-6(7,8)9-5(2)3/h5H,4H2,1-3H3.
What are the key properties of 1,1-difluoro-1-propan-2-yloxypropane?
1,1-difluoro-1-propan-2-yloxypropane has a molecular weight of 138.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-propan-2-yloxypropane is sourced from PubChem (CID 154670708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).