4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol

C11H11F11O — CID 88765155

IUPAC4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
SMILESC=CCC(F)(F)C(F)(F)F.C=CCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O.C5H5F5/c1-2-3-4(13,5(7,8)9)6(10,11)12;1-2-3-4(6,7)5(8,9)10/h2,13H,1,3H2;2H,1,3H2
InChIKeyBWAGQPUGOBIELB-UHFFFAOYSA-N
MW368.19 g/mol
LogP5.18
Rot. Bonds4

About 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol

4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol (PubChem CID 88765155) has the molecular formula C11H11F11O and a molecular weight of 368.19 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
PubChem CID88765155
Molecular FormulaC11H11F11O
Molecular Weight368.19 g/mol
Exact Mass368.06
IUPAC Name4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
SMILESC=CCC(F)(F)C(F)(F)F.C=CCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O.C5H5F5/c1-2-3-4(13,5(7,8)9)6(10,11)12;1-2-3-4(6,7)5(8,9)10/h2,13H,1,3H2;2H,1,3H2
InChIKeyBWAGQPUGOBIELB-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.19
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol with MolForge

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Related Compounds

1,1,1,2,2-pentafluoro-3-(trifluoromethyl)hex-5-en-3-ol
CID 20743967
1,1,1,2,3,3-hexafluorohex-5-en-2-ol
CID 23508681
1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 22186473
(E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol
CID 87143588
CID 162228626
CID 162228626
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridec-1-ene
CID 11249951
azane;4,4,4-trifluorobut-1-ene
CID 166791740
methane;4,4,4-trifluorobut-1-ene
CID 157244358
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol
CID 155341339
3,3-difluorohexa-1,5-diene
CID 90930184
4-aminohepta-1,6-dien-4-ol
CID 87970022

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol?
The IUPAC name of 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol (CID 88765155) is 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol.
What is the SMILES notation for 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol?
The canonical SMILES for 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol is C=CCC(F)(F)C(F)(F)F.C=CCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol?
The InChIKey is BWAGQPUGOBIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O.C5H5F5/c1-2-3-4(13,5(7,8)9)6(10,11)12;1-2-3-4(6,7)5(8,9)10/h2,13H,1,3H2;2H,1,3H2.
What are the key properties of 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol?
4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol has a molecular weight of 368.19 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol is sourced from PubChem (CID 88765155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).