prop-1-ene;trihydrofluoride

C3H9F3 — CID 172698694

IUPACprop-1-ene;trihydrofluoride
SMILESC=CC.F.F.F
InChIInChI=1S/C3H6.3FH/c1-3-2;;;/h3H,1H2,2H3;3*1H
InChIKeyCRAUJMFFRKZIHN-UHFFFAOYSA-N
MW102.10 g/mol
LogP1.65
Rot. Bonds

About prop-1-ene;trihydrofluoride

prop-1-ene;trihydrofluoride (PubChem CID 172698694) has the molecular formula C3H9F3 and a molecular weight of 102.10 g/mol. Its IUPAC name is prop-1-ene;trihydrofluoride.

Molecular Properties

Compound Nameprop-1-ene;trihydrofluoride
PubChem CID172698694
Molecular FormulaC3H9F3
Molecular Weight102.10 g/mol
Exact Mass102.07
IUPAC Nameprop-1-ene;trihydrofluoride
SMILESC=CC.F.F.F
InChIInChI=1S/C3H6.3FH/c1-3-2;;;/h3H,1H2,2H3;3*1H
InChIKeyCRAUJMFFRKZIHN-UHFFFAOYSA-N
XLogP1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.10
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene;trihydrofluoride?
The IUPAC name of prop-1-ene;trihydrofluoride (CID 172698694) is prop-1-ene;trihydrofluoride.
What is the SMILES notation for prop-1-ene;trihydrofluoride?
The canonical SMILES for prop-1-ene;trihydrofluoride is C=CC.F.F.F.
What is the InChIKey of prop-1-ene;trihydrofluoride?
The InChIKey is CRAUJMFFRKZIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.3FH/c1-3-2;;;/h3H,1H2,2H3;3*1H.
What are the key properties of prop-1-ene;trihydrofluoride?
prop-1-ene;trihydrofluoride has a molecular weight of 102.10 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;trihydrofluoride is sourced from PubChem (CID 172698694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).