5-fluoro-3,4-bis(fluoromethyl)pent-1-ene

C7H11F3 — CID 175351865

IUPAC5-fluoro-3,4-bis(fluoromethyl)pent-1-ene
SMILESC=CC(CF)C(CF)CF
InChIInChI=1S/C7H11F3/c1-2-6(3-8)7(4-9)5-10/h2,6-7H,1,3-5H2
InChIKeyXXUHNRUYOKKAIN-UHFFFAOYSA-N
MW152.16 g/mol
LogP2.31
Rot. Bonds5

About 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene

5-fluoro-3,4-bis(fluoromethyl)pent-1-ene (PubChem CID 175351865) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene.

Molecular Properties

Compound Name5-fluoro-3,4-bis(fluoromethyl)pent-1-ene
PubChem CID175351865
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name5-fluoro-3,4-bis(fluoromethyl)pent-1-ene
SMILESC=CC(CF)C(CF)CF
InChIInChI=1S/C7H11F3/c1-2-6(3-8)7(4-9)5-10/h2,6-7H,1,3-5H2
InChIKeyXXUHNRUYOKKAIN-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 52.31
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

4-fluoro-3-(fluoromethyl)but-1-ene
CID 123606349
10-ethenyl-11-(2-fluoroethyl)icosane
CID 57074959
(3S)-6,6,6-trifluoro-3-propan-2-ylhex-1-ene
CID 137420305
3-(bromomethylsulfanyl)-3-fluoroprop-1-ene
CID 88500062
3,4-diethyl-5-methylhex-1-ene
CID 22107333
CID 173401341
CID 173401341
4-chloro-3-fluorobut-1-ene
CID 13147000
(3S)-3-fluoropent-1-ene
CID 122210024
(E)-5-ethenyl-2-fluoro-6,7-dimethyloct-2-ene
CID 139479459
3-(2-fluoroethoxy)but-1-ene
CID 147901946
(3S,4R)-3,5-diethylnon-1-en-4-ol
CID 102096606
1-ethenoxy-1,2-difluoroethane
CID 56626472

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene?
The IUPAC name of 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene (CID 175351865) is 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene.
What is the SMILES notation for 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene?
The canonical SMILES for 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene is C=CC(CF)C(CF)CF.
What is the InChIKey of 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene?
The InChIKey is XXUHNRUYOKKAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-2-6(3-8)7(4-9)5-10/h2,6-7H,1,3-5H2.
What are the key properties of 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene?
5-fluoro-3,4-bis(fluoromethyl)pent-1-ene has a molecular weight of 152.16 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,4-bis(fluoromethyl)pent-1-ene is sourced from PubChem (CID 175351865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).