prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol

C6H8F4O3 — CID 174597740

IUPACprop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol
SMILESC=CC(=O)O.CC(F)(F)C(O)(F)F
InChIInChI=1S/C3H4F4O.C3H4O2/c1-2(4,5)3(6,7)8;1-2-3(4)5/h8H,1H3;2H,1H2,(H,4,5)
InChIKeyAMPHBDQSZFPFCG-UHFFFAOYSA-N
MW204.12 g/mol
LogP1.48
Rot. Bonds2

About prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol

prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol (PubChem CID 174597740) has the molecular formula C6H8F4O3 and a molecular weight of 204.12 g/mol. Its IUPAC name is prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol.

Molecular Properties

Compound Nameprop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol
PubChem CID174597740
Molecular FormulaC6H8F4O3
Molecular Weight204.12 g/mol
Exact Mass204.04
IUPAC Nameprop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol
SMILESC=CC(=O)O.CC(F)(F)C(O)(F)F
InChIInChI=1S/C3H4F4O.C3H4O2/c1-2(4,5)3(6,7)8;1-2-3(4)5/h8H,1H3;2H,1H2,(H,4,5)
InChIKeyAMPHBDQSZFPFCG-UHFFFAOYSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
tert-butyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132453
chloromethane;chromium;prop-2-enoic acid
CID 174311629
methanol;prop-2-enoic acid
CID 159043362
2-hydroperoxy-2-methylpropane;prop-2-enoic acid
CID 158563698
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
CID 175907973
2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
methanethiol;prop-2-enoic acid
CID 158379466
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol?
The IUPAC name of prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol (CID 174597740) is prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol.
What is the SMILES notation for prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol?
The canonical SMILES for prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol is C=CC(=O)O.CC(F)(F)C(O)(F)F.
What is the InChIKey of prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol?
The InChIKey is AMPHBDQSZFPFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O.C3H4O2/c1-2(4,5)3(6,7)8;1-2-3(4)5/h8H,1H3;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol?
prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol has a molecular weight of 204.12 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol is sourced from PubChem (CID 174597740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).