(Z)-2,4,4,5,5-pentafluorohex-2-enoic acid

C6H5F5O2 — CID 87698039

IUPAC(Z)-2,4,4,5,5-pentafluorohex-2-enoic acid
SMILESCC(F)(F)C(F)(F)/C=C(\F)C(=O)O
InChIInChI=1S/C6H5F5O2/c1-5(8,9)6(10,11)2-3(7)4(12)13/h2H,1H3,(H,12,13)/b3-2-
InChIKeyFSMKNWIOTFFKFW-IHWYPQMZSA-N
MW204.09 g/mol
LogP2.21
Rot. Bonds3

About (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid

(Z)-2,4,4,5,5-pentafluorohex-2-enoic acid (PubChem CID 87698039) has the molecular formula C6H5F5O2 and a molecular weight of 204.09 g/mol. Its IUPAC name is (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,4,4,5,5-pentafluorohex-2-enoic acid
PubChem CID87698039
Molecular FormulaC6H5F5O2
Molecular Weight204.09 g/mol
Exact Mass204.02
IUPAC Name(Z)-2,4,4,5,5-pentafluorohex-2-enoic acid
SMILESCC(F)(F)C(F)(F)/C=C(\F)C(=O)O
InChIInChI=1S/C6H5F5O2/c1-5(8,9)6(10,11)2-3(7)4(12)13/h2H,1H3,(H,12,13)/b3-2-
InChIKeyFSMKNWIOTFFKFW-IHWYPQMZSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
CID 19373367
(Z)-2-fluoro-3-hydroxyprop-2-enoic acid
CID 87646358
prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol
CID 174597740
2-(2,2-dimethylpropylidene)propanedioic acid
CID 58916017
2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
CID 154272806
(E)-4,4,5,6,6,6-hexafluoro-2-methylhex-2-enoic acid
CID 87441733
(E)-4,4,5,5,6,6-hexafluoro-2-methylhex-2-enoic acid
CID 142715097
2-fluoro-2-fluorosulfonylpropanoic acid
CID 139448801
(Z)-4-bromo-2-fluorobut-2-enoic acid
CID 19866003
3-cyano-2-fluoroprop-2-enoic acid
CID 154428442
2-fluoropent-2-enedioic acid
CID 90022975
3,3-dimethylbut-1-ene;2-methylprop-2-enoic acid
CID 175316854

Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid?
The IUPAC name of (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid (CID 87698039) is (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid.
What is the SMILES notation for (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid?
The canonical SMILES for (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid is CC(F)(F)C(F)(F)/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid?
The InChIKey is FSMKNWIOTFFKFW-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H5F5O2/c1-5(8,9)6(10,11)2-3(7)4(12)13/h2H,1H3,(H,12,13)/b3-2-.
What are the key properties of (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid?
(Z)-2,4,4,5,5-pentafluorohex-2-enoic acid has a molecular weight of 204.09 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,4,5,5-pentafluorohex-2-enoic acid is sourced from PubChem (CID 87698039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).