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

C8H7ClF4O — CID 163880857

IUPAC2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride
SMILESC=C(C(=O)Cl)C1C(C)C(F)(F)C1(F)F
InChIInChI=1S/C8H7ClF4O/c1-3(6(9)14)5-4(2)7(10,11)8(5,12)13/h4-5H,1H2,2H3
InChIKeyPTBPIEJRHRAOAV-UHFFFAOYSA-N
MW230.59 g/mol
LogP2.84
Rot. Bonds2

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

2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride (PubChem CID 163880857) has the molecular formula C8H7ClF4O and a molecular weight of 230.59 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride
PubChem CID163880857
Molecular FormulaC8H7ClF4O
Molecular Weight230.59 g/mol
Exact Mass230.01
IUPAC Name2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride
SMILESC=C(C(=O)Cl)C1C(C)C(F)(F)C1(F)F
InChIInChI=1S/C8H7ClF4O/c1-3(6(9)14)5-4(2)7(10,11)8(5,12)13/h4-5H,1H2,2H3
InChIKeyPTBPIEJRHRAOAV-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

3-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride
CID 88835361
(2,2-difluoro-3-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
CID 130661032
[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
CID 7019393
bis(carbonochloridic acid);ethane
CID 175169391
trans-(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropane-1-carbonyl chloride
CID 93494643
cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 55301010
acetic acid;2-chlorobuta-1,3-diene
CID 87071838
trans-(1S,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 70465845
2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride
CID 88759861
1-(2,2-dichloro-3-methylcyclopropyl)-2-methylpropan-1-one
CID 12716229
1,2,2,3,3,4-hexafluorocyclobutane-1-carbonyl chloride
CID 162536529
(1R,2S,3S)-1-chloro-3-methylcyclopropane-1,2-dicarboxylic acid
CID 131185774

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride?
The IUPAC name of 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride (CID 163880857) is 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride?
The canonical SMILES for 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride is C=C(C(=O)Cl)C1C(C)C(F)(F)C1(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride?
The InChIKey is PTBPIEJRHRAOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF4O/c1-3(6(9)14)5-4(2)7(10,11)8(5,12)13/h4-5H,1H2,2H3.
What are the key properties of 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride?
2-(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 2-(2,2,3,3-tetrafluoro-4-methylcyclobutyl)prop-2-enoyl chloride is sourced from PubChem (CID 163880857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).