6,7,7-trifluorohept-6-ene-1,3-diol

C7H11F3O2 — CID 86664076

IUPAC6,7,7-trifluorohept-6-ene-1,3-diol
SMILESOCCC(O)CCC(F)=C(F)F
InChIInChI=1S/C7H11F3O2/c8-6(7(9)10)2-1-5(12)3-4-11/h5,11-12H,1-4H2
InChIKeyNLGQJHQDUWHEMX-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.59
Rot. Bonds5

About 6,7,7-trifluorohept-6-ene-1,3-diol

6,7,7-trifluorohept-6-ene-1,3-diol (PubChem CID 86664076) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 6,7,7-trifluorohept-6-ene-1,3-diol.

Molecular Properties

Compound Name6,7,7-trifluorohept-6-ene-1,3-diol
PubChem CID86664076
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name6,7,7-trifluorohept-6-ene-1,3-diol
SMILESOCCC(O)CCC(F)=C(F)F
InChIInChI=1S/C7H11F3O2/c8-6(7(9)10)2-1-5(12)3-4-11/h5,11-12H,1-4H2
InChIKeyNLGQJHQDUWHEMX-UHFFFAOYSA-N
XLogP1.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,7-trifluorohept-6-ene-1,3-diol?
The IUPAC name of 6,7,7-trifluorohept-6-ene-1,3-diol (CID 86664076) is 6,7,7-trifluorohept-6-ene-1,3-diol.
What is the SMILES notation for 6,7,7-trifluorohept-6-ene-1,3-diol?
The canonical SMILES for 6,7,7-trifluorohept-6-ene-1,3-diol is OCCC(O)CCC(F)=C(F)F.
What is the InChIKey of 6,7,7-trifluorohept-6-ene-1,3-diol?
The InChIKey is NLGQJHQDUWHEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-6(7(9)10)2-1-5(12)3-4-11/h5,11-12H,1-4H2.
What are the key properties of 6,7,7-trifluorohept-6-ene-1,3-diol?
6,7,7-trifluorohept-6-ene-1,3-diol has a molecular weight of 184.16 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trifluorohept-6-ene-1,3-diol is sourced from PubChem (CID 86664076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).