2-(chloromethoxy)-3,3,4-trifluoropent-1-ene

C6H8ClF3O — CID 140821807

IUPAC2-(chloromethoxy)-3,3,4-trifluoropent-1-ene
SMILESC=C(OCCl)C(F)(F)C(C)F
InChIInChI=1S/C6H8ClF3O/c1-4(8)6(9,10)5(2)11-3-7/h4H,2-3H2,1H3
InChIKeyCTTUDKTYHVJNHO-UHFFFAOYSA-N
MW188.58 g/mol
LogP2.71
Rot. Bonds4

About 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene

2-(chloromethoxy)-3,3,4-trifluoropent-1-ene (PubChem CID 140821807) has the molecular formula C6H8ClF3O and a molecular weight of 188.58 g/mol. Its IUPAC name is 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene.

Molecular Properties

Compound Name2-(chloromethoxy)-3,3,4-trifluoropent-1-ene
PubChem CID140821807
Molecular FormulaC6H8ClF3O
Molecular Weight188.58 g/mol
Exact Mass188.02
IUPAC Name2-(chloromethoxy)-3,3,4-trifluoropent-1-ene
SMILESC=C(OCCl)C(F)(F)C(C)F
InChIInChI=1S/C6H8ClF3O/c1-4(8)6(9,10)5(2)11-3-7/h4H,2-3H2,1H3
InChIKeyCTTUDKTYHVJNHO-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.58
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Difluoromethoxy)pent-1-ene
CID 123931910
3,3,5-Trifluoro-2-methoxyhexa-1,5-diene
CID 132153170
1-Chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene
CID 142533953
3,3-Difluoro-2-methoxypent-1-ene
CID 143721934
(Z)-1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene
CID 146663197
5,5,5-Trifluoro-2-methoxypent-1-ene
CID 148908105
1,1-Difluoro-2-methoxypent-1-ene
CID 162577354

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene?
The IUPAC name of 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene (CID 140821807) is 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene.
What is the SMILES notation for 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene?
The canonical SMILES for 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene is C=C(OCCl)C(F)(F)C(C)F.
What is the InChIKey of 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene?
The InChIKey is CTTUDKTYHVJNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O/c1-4(8)6(9,10)5(2)11-3-7/h4H,2-3H2,1H3.
What are the key properties of 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene?
2-(chloromethoxy)-3,3,4-trifluoropent-1-ene has a molecular weight of 188.58 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-3,3,4-trifluoropent-1-ene is sourced from PubChem (CID 140821807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).