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

C7H11F3 — CID 57192744

IUPAC5-fluoro-4,4-bis(fluoromethyl)pent-1-ene
SMILESC=CCC(CF)(CF)CF
InChIInChI=1S/C7H11F3/c1-2-3-7(4-8,5-9)6-10/h2H,1,3-6H2
InChIKeyLIDCHBCUESJJIE-UHFFFAOYSA-N
MW152.16 g/mol
LogP2.46
Rot. Bonds5

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

5-fluoro-4,4-bis(fluoromethyl)pent-1-ene (PubChem CID 57192744) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene.

Molecular Properties

Compound Name5-fluoro-4,4-bis(fluoromethyl)pent-1-ene
PubChem CID57192744
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name5-fluoro-4,4-bis(fluoromethyl)pent-1-ene
SMILESC=CCC(CF)(CF)CF
InChIInChI=1S/C7H11F3/c1-2-3-7(4-8,5-9)6-10/h2H,1,3-6H2
InChIKeyLIDCHBCUESJJIE-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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

azane;4,4,4-trifluorobut-1-ene
CID 166791740
methane;4,4,4-trifluorobut-1-ene
CID 157244358
3,3-difluorohexa-1,5-diene
CID 90930184
2-(aminomethyl)-2-prop-2-enylpent-4-en-1-ol
CID 170682410
hepta-1,6-diene-4,4-diamine
CID 21275124
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
3-ethyl-3-prop-2-enylhex-5-en-1-amine
CID 153496771
2-ethyl-N-methyl-2-prop-2-enylpent-4-en-1-amine
CID 153496766
2,2-dimethylpent-4-enenitrile;ethane
CID 144998306
2,2-bis(prop-2-enyl)hexan-1-amine
CID 175019785
2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol
CID 155341339
4-chloro-4-methylpent-1-ene
CID 14174361

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene?
The IUPAC name of 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene (CID 57192744) is 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene.
What is the SMILES notation for 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene?
The canonical SMILES for 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene is C=CCC(CF)(CF)CF.
What is the InChIKey of 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene?
The InChIKey is LIDCHBCUESJJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-2-3-7(4-8,5-9)6-10/h2H,1,3-6H2.
What are the key properties of 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene?
5-fluoro-4,4-bis(fluoromethyl)pent-1-ene has a molecular weight of 152.16 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,4-bis(fluoromethyl)pent-1-ene is sourced from PubChem (CID 57192744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).