carbonic acid;prop-1-ene;trihydrofluoride

C4H11F3O3 — CID 174985064

IUPACcarbonic acid;prop-1-ene;trihydrofluoride
SMILESC=CC.F.F.F.O=C(O)O
InChIInChI=1S/C3H6.CH2O3.3FH/c1-3-2;2-1(3)4;;;/h3H,1H2,2H3;(H2,2,3,4);3*1H
InChIKeyRKHVYYWPDSABMS-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.87
Rot. Bonds

About carbonic acid;prop-1-ene;trihydrofluoride

carbonic acid;prop-1-ene;trihydrofluoride (PubChem CID 174985064) has the molecular formula C4H11F3O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is carbonic acid;prop-1-ene;trihydrofluoride.

Molecular Properties

Compound Namecarbonic acid;prop-1-ene;trihydrofluoride
PubChem CID174985064
Molecular FormulaC4H11F3O3
Molecular Weight164.12 g/mol
Exact Mass164.07
IUPAC Namecarbonic acid;prop-1-ene;trihydrofluoride
SMILESC=CC.F.F.F.O=C(O)O
InChIInChI=1S/C3H6.CH2O3.3FH/c1-3-2;2-1(3)4;;;/h3H,1H2,2H3;(H2,2,3,4);3*1H
InChIKeyRKHVYYWPDSABMS-UHFFFAOYSA-N
XLogP1.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;prop-1-ene;trihydrofluoride?
The IUPAC name of carbonic acid;prop-1-ene;trihydrofluoride (CID 174985064) is carbonic acid;prop-1-ene;trihydrofluoride.
What is the SMILES notation for carbonic acid;prop-1-ene;trihydrofluoride?
The canonical SMILES for carbonic acid;prop-1-ene;trihydrofluoride is C=CC.F.F.F.O=C(O)O.
What is the InChIKey of carbonic acid;prop-1-ene;trihydrofluoride?
The InChIKey is RKHVYYWPDSABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.CH2O3.3FH/c1-3-2;2-1(3)4;;;/h3H,1H2,2H3;(H2,2,3,4);3*1H.
What are the key properties of carbonic acid;prop-1-ene;trihydrofluoride?
carbonic acid;prop-1-ene;trihydrofluoride has a molecular weight of 164.12 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;prop-1-ene;trihydrofluoride is sourced from PubChem (CID 174985064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).