3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride

C8H7ClF4O — CID 88835361

IUPAC3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride
SMILESCC1C(C=CC(=O)Cl)C(F)(F)C1(F)F
InChIInChI=1S/C8H7ClF4O/c1-4-5(2-3-6(9)14)8(12,13)7(4,10)11/h2-5H,1H3
InChIKeyVXXKOPKBGNNPHV-UHFFFAOYSA-N
MW230.59 g/mol
LogP2.84
Rot. Bonds2

About 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride

3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride (PubChem CID 88835361) has the molecular formula C8H7ClF4O and a molecular weight of 230.59 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride
PubChem CID88835361
Molecular FormulaC8H7ClF4O
Molecular Weight230.59 g/mol
Exact Mass230.01
IUPAC Name3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride
SMILESCC1C(C=CC(=O)Cl)C(F)(F)C1(F)F
InChIInChI=1S/C8H7ClF4O/c1-4-5(2-3-6(9)14)8(12,13)7(4,10)11/h2-5H,1H3
InChIKeyVXXKOPKBGNNPHV-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.59
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride
CID 163880857
2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropane-1-carbonyl chloride
CID 88716019
1,4,5,6-tetrafluoro-7-methyl-8-[(Z)-prop-1-enyl]bicyclo[2.2.2]oct-5-ene-2,3-dione
CID 177403647
methyl (E)-3-(3-carbonochloridoyl-2,2-dimethylcyclopropyl)prop-2-enoate
CID 12807756
(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
CID 42611107
4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one
CID 162955034
3,3-difluorocyclobutane-1-carbonyl chloride
CID 83855003
but-2-enoyl chloride;prop-2-enoyl chloride
CID 174874963
methyl (E)-4-chloro-4-oxobut-2-enoate
CID 6536970
4-(methylamino)-4-oxobut-2-enoyl chloride
CID 91428826
(2E,4E,6Z)-4-methylocta-2,4,6-trienoyl chloride
CID 87522076
trans-(1S,3R)-3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 70394950

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride?
The IUPAC name of 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride (CID 88835361) is 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride?
The canonical SMILES for 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride is CC1C(C=CC(=O)Cl)C(F)(F)C1(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride?
The InChIKey is VXXKOPKBGNNPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF4O/c1-4-5(2-3-6(9)14)8(12,13)7(4,10)11/h2-5H,1H3.
What are the key properties of 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride?
3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride has a molecular weight of 230.59 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride is sourced from PubChem (CID 88835361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).