4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene

C7H11F3O — CID 152683238

IUPAC4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene
SMILESCOC=CC(CF)(CF)CF
InChIInChI=1S/C7H11F3O/c1-11-3-2-7(4-8,5-9)6-10/h2-3H,4-6H2,1H3
InChIKeyZNZRGEROZXXTBQ-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.04
Rot. Bonds5

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

4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene (PubChem CID 152683238) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene.

Molecular Properties

Compound Name4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene
PubChem CID152683238
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene
SMILESCOC=CC(CF)(CF)CF
InChIInChI=1S/C7H11F3O/c1-11-3-2-7(4-8,5-9)6-10/h2-3H,4-6H2,1H3
InChIKeyZNZRGEROZXXTBQ-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene?
The IUPAC name of 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene (CID 152683238) is 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene.
What is the SMILES notation for 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene?
The canonical SMILES for 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene is COC=CC(CF)(CF)CF.
What is the InChIKey of 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene?
The InChIKey is ZNZRGEROZXXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-11-3-2-7(4-8,5-9)6-10/h2-3H,4-6H2,1H3.
What are the key properties of 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene?
4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene has a molecular weight of 168.16 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene is sourced from PubChem (CID 152683238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).