(Z)-3,3,3-trifluoro-1-methoxyprop-1-ene

C4H5F3O — CID 11116063

IUPAC(Z)-3,3,3-trifluoro-1-methoxyprop-1-ene
SMILESCO/C=C\C(F)(F)F
InChIInChI=1S/C4H5F3O/c1-8-3-2-4(5,6)7/h2-3H,1H3/b3-2-
InChIKeyBGHDVJGMEWAMPO-IHWYPQMZSA-N
MW126.08 g/mol
LogP1.71
Rot. Bonds1

About (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene

(Z)-3,3,3-trifluoro-1-methoxyprop-1-ene (PubChem CID 11116063) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-1-methoxyprop-1-ene
PubChem CID11116063
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name(Z)-3,3,3-trifluoro-1-methoxyprop-1-ene
SMILESCO/C=C\C(F)(F)F
InChIInChI=1S/C4H5F3O/c1-8-3-2-4(5,6)7/h2-3H,1H3/b3-2-
InChIKeyBGHDVJGMEWAMPO-IHWYPQMZSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.71
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 (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene?
The IUPAC name of (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene (CID 11116063) is (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene.
What is the SMILES notation for (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene?
The canonical SMILES for (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene is CO/C=C\C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene?
The InChIKey is BGHDVJGMEWAMPO-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H5F3O/c1-8-3-2-4(5,6)7/h2-3H,1H3/b3-2-.
What are the key properties of (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene?
(Z)-3,3,3-trifluoro-1-methoxyprop-1-ene has a molecular weight of 126.08 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-1-methoxyprop-1-ene is sourced from PubChem (CID 11116063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).