but-1-ene;dihydrofluoride

C4H10F2 — CID 175726295

IUPACbut-1-ene;dihydrofluoride
SMILESC=CCC.F.F
InChIInChI=1S/C4H8.2FH/c1-3-4-2;;/h3H,1,4H2,2H3;2*1H
InChIKeyRCJRKAVFDGELAA-UHFFFAOYSA-N
MW96.12 g/mol
LogP1.89
Rot. Bonds1

About but-1-ene;dihydrofluoride

but-1-ene;dihydrofluoride (PubChem CID 175726295) has the molecular formula C4H10F2 and a molecular weight of 96.12 g/mol. Its IUPAC name is but-1-ene;dihydrofluoride.

Molecular Properties

Compound Namebut-1-ene;dihydrofluoride
PubChem CID175726295
Molecular FormulaC4H10F2
Molecular Weight96.12 g/mol
Exact Mass96.08
IUPAC Namebut-1-ene;dihydrofluoride
SMILESC=CCC.F.F
InChIInChI=1S/C4H8.2FH/c1-3-4-2;;/h3H,1,4H2,2H3;2*1H
InChIKeyRCJRKAVFDGELAA-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 19017343
but-1-ene;methanethiol
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butane;bis(but-1-ene)
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but-1-ene;formonitrile
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CID 174887933
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
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CID 161064943
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
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CID 142013560
benzene;but-1-ene;methanamine
CID 174634102

Frequently Asked Questions

What is the IUPAC name of but-1-ene;dihydrofluoride?
The IUPAC name of but-1-ene;dihydrofluoride (CID 175726295) is but-1-ene;dihydrofluoride.
What is the SMILES notation for but-1-ene;dihydrofluoride?
The canonical SMILES for but-1-ene;dihydrofluoride is C=CCC.F.F.
What is the InChIKey of but-1-ene;dihydrofluoride?
The InChIKey is RCJRKAVFDGELAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.2FH/c1-3-4-2;;/h3H,1,4H2,2H3;2*1H.
What are the key properties of but-1-ene;dihydrofluoride?
but-1-ene;dihydrofluoride has a molecular weight of 96.12 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;dihydrofluoride is sourced from PubChem (CID 175726295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).