2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride

C7H7ClF4O2 — CID 88759861

IUPAC2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride
SMILESC=C(C(=O)O)C1CC(F)(F)C1(F)F.Cl
InChIInChI=1S/C7H6F4O2.ClH/c1-3(5(12)13)4-2-6(8,9)7(4,10)11;/h4H,1-2H2,(H,12,13);1H
InChIKeySGTCEUZPXAPHJW-UHFFFAOYSA-N
MW234.58 g/mol
LogP2.34
Rot. Bonds2

About 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride

2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride (PubChem CID 88759861) has the molecular formula C7H7ClF4O2 and a molecular weight of 234.58 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride
PubChem CID88759861
Molecular FormulaC7H7ClF4O2
Molecular Weight234.58 g/mol
Exact Mass234.01
IUPAC Name2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride
SMILESC=C(C(=O)O)C1CC(F)(F)C1(F)F.Cl
InChIInChI=1S/C7H6F4O2.ClH/c1-3(5(12)13)4-2-6(8,9)7(4,10)11;/h4H,1-2H2,(H,12,13);1H
InChIKeySGTCEUZPXAPHJW-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.58
LogP ≤ 52.34
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

2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 74420491
(1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide
CID 28936618
2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride
CID 45081928
2-fluoroprop-2-enoic acid;hydrochloride
CID 87142297
2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid
CID 131153136
2-(1-hydroxy-2-adamantyl)prop-2-enoic acid
CID 67249997
2,2-difluorocyclopropane-1-carbonyl iodide
CID 90251156
(1R)-2,2-difluorocyclopropane-1-carbonyl chloride
CID 124563920
2-[(2S,6R,8S,8aR)-6-hydroxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
CID 146682542
2-piperidin-4-ylprop-2-enoic acid
CID 67374343
2-(oxan-4-yl)prop-2-enoic acid
CID 66717552
carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
CID 88740342

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride?
The IUPAC name of 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride (CID 88759861) is 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride.
What is the SMILES notation for 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride?
The canonical SMILES for 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride is C=C(C(=O)O)C1CC(F)(F)C1(F)F.Cl.
What is the InChIKey of 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride?
The InChIKey is SGTCEUZPXAPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O2.ClH/c1-3(5(12)13)4-2-6(8,9)7(4,10)11;/h4H,1-2H2,(H,12,13);1H.
What are the key properties of 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride?
2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride has a molecular weight of 234.58 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride is sourced from PubChem (CID 88759861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).