3,3-difluoro-1-propoxybutane

C7H14F2O — CID 118261285

IUPAC3,3-difluoro-1-propoxybutane
SMILESCCCOCCC(C)(F)F
InChIInChI=1S/C7H14F2O/c1-3-5-10-6-4-7(2,8)9/h3-6H2,1-2H3
InChIKeyWXBAWBCNVDMHDO-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.46
Rot. Bonds5

About 3,3-difluoro-1-propoxybutane

3,3-difluoro-1-propoxybutane (PubChem CID 118261285) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 3,3-difluoro-1-propoxybutane.

Molecular Properties

Compound Name3,3-difluoro-1-propoxybutane
PubChem CID118261285
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name3,3-difluoro-1-propoxybutane
SMILESCCCOCCC(C)(F)F
InChIInChI=1S/C7H14F2O/c1-3-5-10-6-4-7(2,8)9/h3-6H2,1-2H3
InChIKeyWXBAWBCNVDMHDO-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3,3-difluorobutane
CID 175614029
1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane
CID 175614014
1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane
CID 20802182
2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
CID 161233705
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
2,2,3,3,4,4-hexafluoro-1-propoxypentane
CID 122536211
1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane
CID 142957389
1-(3,3-dimethylbutoxy)-17,17-difluorooctadecane
CID 126578389
propyl 3,3-dimethyl-5-propoxypentanoate
CID 153309922
ethane;propane;1-propoxypropane
CID 143757970
3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
CID 106452004
1,1,1,2,2-pentafluoro-16-propoxyhexadecane
CID 126561771

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propoxybutane?
The IUPAC name of 3,3-difluoro-1-propoxybutane (CID 118261285) is 3,3-difluoro-1-propoxybutane.
What is the SMILES notation for 3,3-difluoro-1-propoxybutane?
The canonical SMILES for 3,3-difluoro-1-propoxybutane is CCCOCCC(C)(F)F.
What is the InChIKey of 3,3-difluoro-1-propoxybutane?
The InChIKey is WXBAWBCNVDMHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-3-5-10-6-4-7(2,8)9/h3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-propoxybutane?
3,3-difluoro-1-propoxybutane has a molecular weight of 152.18 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propoxybutane is sourced from PubChem (CID 118261285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).