1,4-difluorobutane

C4H8F2 — CID 9753

IUPAC1,4-difluorobutane
SMILESFCCCCF
InChIInChI=1S/C4H8F2/c5-3-1-2-4-6/h1-4H2
InChIKeyCXHPKSYTQFAXIN-UHFFFAOYSA-N
MW94.10 g/mol
LogP1.71
Rot. Bonds3

About 1,4-difluorobutane

1,4-difluorobutane (PubChem CID 9753) has the molecular formula C4H8F2 and a molecular weight of 94.10 g/mol. Its IUPAC name is 1,4-difluorobutane.

Molecular Properties

Compound Name1,4-difluorobutane
PubChem CID9753
Molecular FormulaC4H8F2
Molecular Weight94.10 g/mol
Exact Mass94.06
IUPAC Name1,4-difluorobutane
SMILESFCCCCF
InChIInChI=1S/C4H8F2/c5-3-1-2-4-6/h1-4H2
InChIKeyCXHPKSYTQFAXIN-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.10
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-Difluoropentane
CID 67800
1,2-Difluorobutane
CID 21922267
2,3-Difluorobutane
CID 12732614
1,3-Difluorobutane
CID 13698351
(2R,3S)-2,3-difluorobutane
CID 12732615
(2S,3S)-2,3-difluorobutane
CID 122223034
1,2,4-Trifluorobutane
CID 57667515
1,2,5-Trifluoropentane
CID 87247739
1,3,5-Trifluoropentane
CID 87247793
(3S)-2,3-difluorobutane
CID 158342353
(3R)-2,3-difluorobutane
CID 173511084
(3R)-1,3-difluorobutane
CID 173511085

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobutane?
The IUPAC name of 1,4-difluorobutane (CID 9753) is 1,4-difluorobutane.
What is the SMILES notation for 1,4-difluorobutane?
The canonical SMILES for 1,4-difluorobutane is FCCCCF.
What is the InChIKey of 1,4-difluorobutane?
The InChIKey is CXHPKSYTQFAXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2/c5-3-1-2-4-6/h1-4H2.
What are the key properties of 1,4-difluorobutane?
1,4-difluorobutane has a molecular weight of 94.10 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobutane is sourced from PubChem (CID 9753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).