2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene

C4H3ClF4O — CID 71381714

IUPAC2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene
SMILESCOC(F)=C(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF4O/c1-10-3(6)2(5)4(7,8)9/h1H3
InChIKeyYDPYPYAVBCGMGQ-UHFFFAOYSA-N
MW178.51 g/mol
LogP2.57
Rot. Bonds1

About 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene

2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene (PubChem CID 71381714) has the molecular formula C4H3ClF4O and a molecular weight of 178.51 g/mol. Its IUPAC name is 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene.

Molecular Properties

Compound Name2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene
PubChem CID71381714
Molecular FormulaC4H3ClF4O
Molecular Weight178.51 g/mol
Exact Mass177.98
IUPAC Name2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene
SMILESCOC(F)=C(Cl)C(F)(F)F
InChIInChI=1S/C4H3ClF4O/c1-10-3(6)2(5)4(7,8)9/h1H3
InChIKeyYDPYPYAVBCGMGQ-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.51
LogP ≤ 52.57
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 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene?
The IUPAC name of 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene (CID 71381714) is 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene.
What is the SMILES notation for 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene?
The canonical SMILES for 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene is COC(F)=C(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene?
The InChIKey is YDPYPYAVBCGMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF4O/c1-10-3(6)2(5)4(7,8)9/h1H3.
What are the key properties of 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene?
2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene has a molecular weight of 178.51 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,3,3-tetrafluoro-1-methoxyprop-1-ene is sourced from PubChem (CID 71381714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).