2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene

C10H9F5 — CID 154392934

IUPAC2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene
SMILESCCC=CC1=C(F)C(F)(F)C(F)(F)C=C1
InChIInChI=1S/C10H9F5/c1-2-3-4-7-5-6-9(12,13)10(14,15)8(7)11/h3-6H,2H2,1H3
InChIKeyBYVPRXPPGWTYLU-UHFFFAOYSA-N
MW224.17 g/mol
LogP4.02
Rot. Bonds2

About 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene

2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene (PubChem CID 154392934) has the molecular formula C10H9F5 and a molecular weight of 224.17 g/mol. Its IUPAC name is 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene
PubChem CID154392934
Molecular FormulaC10H9F5
Molecular Weight224.17 g/mol
Exact Mass224.06
IUPAC Name2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene
SMILESCCC=CC1=C(F)C(F)(F)C(F)(F)C=C1
InChIInChI=1S/C10H9F5/c1-2-3-4-7-5-6-9(12,13)10(14,15)8(7)11/h3-6H,2H2,1H3
InChIKeyBYVPRXPPGWTYLU-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane
CID 145147659
2-[(E)-but-1-enyl]-1-fluoro-3-methylbenzene
CID 142162994
3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene
CID 143372820
2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
1,2-bis(but-1-enyl)benzene
CID 140975855
4-amino-3-[(Z)-but-1-enyl]-5-fluorobenzenethiol;ethane
CID 145496534
benzene;but-1-enylbenzene
CID 157481332
4-but-1-enylisoindole-1,3-dione
CID 70126944
2-but-1-enylcyclopenta-1,3-diene
CID 73196654
2-but-1-enyl-1-ethyl-4-fluorobenzene
CID 162284345
5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine
CID 70181027

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene?
The IUPAC name of 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene (CID 154392934) is 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene?
The canonical SMILES for 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene is CCC=CC1=C(F)C(F)(F)C(F)(F)C=C1.
What is the InChIKey of 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene?
The InChIKey is BYVPRXPPGWTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5/c1-2-3-4-7-5-6-9(12,13)10(14,15)8(7)11/h3-6H,2H2,1H3.
What are the key properties of 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene?
2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene has a molecular weight of 224.17 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-1,5,5,6,6-pentafluorocyclohexa-1,3-diene is sourced from PubChem (CID 154392934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).