1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol

C5H2F8O — CID 10014064

IUPAC1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol
SMILESOC(C=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F8O/c6-2(7)1-3(14,4(8,9)10)5(11,12)13/h1,14H
InChIKeyUQRFNPPBZHNZBY-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.62
Rot. Bonds1

About 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol

1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol (PubChem CID 10014064) has the molecular formula C5H2F8O and a molecular weight of 230.05 g/mol. Its IUPAC name is 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol.

Molecular Properties

Compound Name1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol
PubChem CID10014064
Molecular FormulaC5H2F8O
Molecular Weight230.05 g/mol
Exact Mass230.00
IUPAC Name1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol
SMILESOC(C=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F8O/c6-2(7)1-3(14,4(8,9)10)5(11,12)13/h1,14H
InChIKeyUQRFNPPBZHNZBY-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
CID 134873275
1,1,3,3-tetrafluoro-3-(1,1,3,3-tetrafluoroprop-2-enoxy)prop-1-ene
CID 87946697
1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium
CID 59893076
1,1,3,4,4,5,5,6,6,6-decafluoro-3-(trifluoromethyl)hex-1-ene;hydrofluoride
CID 162621477
1,1,3,3,3-pentafluoroprop-1-ene;3,3,3-trifluoroprop-1-ene
CID 21301207
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
1,1,3,3,5,5,7,7,9,9,10,10,11,11,11-pentadecafluoroundec-1-ene
CID 139624021
1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene
CID 159211842
5,5,5-trifluoro-4-hydroxy-2-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pent-2-enoic acid
CID 123565742
(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) 2-methylprop-2-enoate;5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pent-2-enoic acid
CID 159792951
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium
CID 175151132
tris(1,1,2,2,2-pentafluoroethyl)-(trifluoromethyl)-λ4-sulfane
CID 162621792

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol?
The IUPAC name of 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol (CID 10014064) is 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol.
What is the SMILES notation for 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol?
The canonical SMILES for 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol is OC(C=C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol?
The InChIKey is UQRFNPPBZHNZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8O/c6-2(7)1-3(14,4(8,9)10)5(11,12)13/h1,14H.
What are the key properties of 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol?
1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol has a molecular weight of 230.05 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol is sourced from PubChem (CID 10014064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).