carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane

C7H7F13O4 — CID 161128508

IUPACcarbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
SMILESCC(F)(F)F.FC(F)(F)COC(F)(F)F.O=C(O)F.OC(F)(F)F
InChIInChI=1S/C3H2F6O.C2H3F3.CHF3O.CHFO2/c4-2(5,6)1-10-3(7,8)9;1-2(3,4)5;2-1(3,4)5;2-1(3)4/h1H2;1H3;5H;(H,3,4)
InChIKeyULWHFCFWADGRPM-UHFFFAOYSA-N
MW402.10 g/mol
LogP4.79
Rot. Bonds1

About carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane

carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane (PubChem CID 161128508) has the molecular formula C7H7F13O4 and a molecular weight of 402.10 g/mol. Its IUPAC name is carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Namecarbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
PubChem CID161128508
Molecular FormulaC7H7F13O4
Molecular Weight402.10 g/mol
Exact Mass402.01
IUPAC Namecarbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
SMILESCC(F)(F)F.FC(F)(F)COC(F)(F)F.O=C(O)F.OC(F)(F)F
InChIInChI=1S/C3H2F6O.C2H3F3.CHF3O.CHFO2/c4-2(5,6)1-10-3(7,8)9;1-2(3,4)5;2-1(3,4)5;2-1(3)4/h1H2;1H3;5H;(H,3,4)
InChIKeyULWHFCFWADGRPM-UHFFFAOYSA-N
XLogP4.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.10
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane (CID 161128508) is carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane is CC(F)(F)F.FC(F)(F)COC(F)(F)F.O=C(O)F.OC(F)(F)F.
What is the InChIKey of carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The InChIKey is ULWHFCFWADGRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.C2H3F3.CHF3O.CHFO2/c4-2(5,6)1-10-3(7,8)9;1-2(3,4)5;2-1(3,4)5;2-1(3)4/h1H2;1H3;5H;(H,3,4).
What are the key properties of carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane has a molecular weight of 402.10 g/mol, XLogP of 4.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonofluoridic acid;1,1,1-trifluoroethane;trifluoromethanol;1,1,1-trifluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 161128508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).