carbonic acid;1,1,3-trifluoroprop-1-ene

C4H5F3O3 — CID 135262117

IUPACcarbonic acid;1,1,3-trifluoroprop-1-ene
SMILESFCC=C(F)F.O=C(O)O
InChIInChI=1S/C3H3F3.CH2O3/c4-2-1-3(5)6;2-1(3)4/h1H,2H2;(H2,2,3,4)
InChIKeyHQVJEENLYRCHIQ-UHFFFAOYSA-N
MW158.07 g/mol
LogP1.96
Rot. Bonds1

About carbonic acid;1,1,3-trifluoroprop-1-ene

carbonic acid;1,1,3-trifluoroprop-1-ene (PubChem CID 135262117) has the molecular formula C4H5F3O3 and a molecular weight of 158.07 g/mol. Its IUPAC name is carbonic acid;1,1,3-trifluoroprop-1-ene.

Molecular Properties

Compound Namecarbonic acid;1,1,3-trifluoroprop-1-ene
PubChem CID135262117
Molecular FormulaC4H5F3O3
Molecular Weight158.07 g/mol
Exact Mass158.02
IUPAC Namecarbonic acid;1,1,3-trifluoroprop-1-ene
SMILESFCC=C(F)F.O=C(O)O
InChIInChI=1S/C3H3F3.CH2O3/c4-2-1-3(5)6;2-1(3)4/h1H,2H2;(H2,2,3,4)
InChIKeyHQVJEENLYRCHIQ-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,1,3-trifluoroprop-1-ene?
The IUPAC name of carbonic acid;1,1,3-trifluoroprop-1-ene (CID 135262117) is carbonic acid;1,1,3-trifluoroprop-1-ene.
What is the SMILES notation for carbonic acid;1,1,3-trifluoroprop-1-ene?
The canonical SMILES for carbonic acid;1,1,3-trifluoroprop-1-ene is FCC=C(F)F.O=C(O)O.
What is the InChIKey of carbonic acid;1,1,3-trifluoroprop-1-ene?
The InChIKey is HQVJEENLYRCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3.CH2O3/c4-2-1-3(5)6;2-1(3)4/h1H,2H2;(H2,2,3,4).
What are the key properties of carbonic acid;1,1,3-trifluoroprop-1-ene?
carbonic acid;1,1,3-trifluoroprop-1-ene has a molecular weight of 158.07 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1,3-trifluoroprop-1-ene is sourced from PubChem (CID 135262117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).