(E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol

C6H6F6O — CID 139923909

IUPAC(E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol
SMILESCC/C(=C(\O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-2-3(5(7,8)9)4(13)6(10,11)12/h13H,2H2,1H3/b4-3+
InChIKeyUCPVMPRUSUDBNR-ONEGZZNKSA-N
MW208.10 g/mol
LogP3.33
Rot. Bonds1

About (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol

(E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol (PubChem CID 139923909) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol
PubChem CID139923909
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name(E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol
SMILESCC/C(=C(\O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-2-3(5(7,8)9)4(13)6(10,11)12/h13H,2H2,1H3/b4-3+
InChIKeyUCPVMPRUSUDBNR-ONEGZZNKSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol (CID 139923909) is (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol is CC/C(=C(\O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol?
The InChIKey is UCPVMPRUSUDBNR-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H6F6O/c1-2-3(5(7,8)9)4(13)6(10,11)12/h13H,2H2,1H3/b4-3+.
What are the key properties of (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol?
(E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol has a molecular weight of 208.10 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-3-(trifluoromethyl)pent-2-en-2-ol is sourced from PubChem (CID 139923909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).