1-chloroethenyl 2,3,3,3-tetrafluoropropanoate

C5H3ClF4O2 — CID 175302669

IUPAC1-chloroethenyl 2,3,3,3-tetrafluoropropanoate
SMILESC=C(Cl)OC(=O)C(F)C(F)(F)F
InChIInChI=1S/C5H3ClF4O2/c1-2(6)12-4(11)3(7)5(8,9)10/h3H,1H2
InChIKeyNHSWHOIWEPABKO-UHFFFAOYSA-N
MW206.52 g/mol
LogP2.14
Rot. Bonds2

About 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate

1-chloroethenyl 2,3,3,3-tetrafluoropropanoate (PubChem CID 175302669) has the molecular formula C5H3ClF4O2 and a molecular weight of 206.52 g/mol. Its IUPAC name is 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name1-chloroethenyl 2,3,3,3-tetrafluoropropanoate
PubChem CID175302669
Molecular FormulaC5H3ClF4O2
Molecular Weight206.52 g/mol
Exact Mass205.98
IUPAC Name1-chloroethenyl 2,3,3,3-tetrafluoropropanoate
SMILESC=C(Cl)OC(=O)C(F)C(F)(F)F
InChIInChI=1S/C5H3ClF4O2/c1-2(6)12-4(11)3(7)5(8,9)10/h3H,1H2
InChIKeyNHSWHOIWEPABKO-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.52
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
CID 134247673
2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate
CID 155774744
3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide
CID 87371239
1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
CID 88537567
2,2,3,4,4,4-hexafluorobutyl carbonochloridate
CID 112758175
2-chloro-3,4,4,5,5-pentafluoropent-1-ene
CID 87403789
1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene
CID 18348280
N,N-diethyl-2,3,3,3-tetrafluoropropanamide
CID 2774042
[2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate
CID 156841884
(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266376
1,1-dichloroethene;urea
CID 174817007

Frequently Asked Questions

What is the IUPAC name of 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate?
The IUPAC name of 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate (CID 175302669) is 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate is C=C(Cl)OC(=O)C(F)C(F)(F)F.
What is the InChIKey of 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate?
The InChIKey is NHSWHOIWEPABKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF4O2/c1-2(6)12-4(11)3(7)5(8,9)10/h3H,1H2.
What are the key properties of 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate?
1-chloroethenyl 2,3,3,3-tetrafluoropropanoate has a molecular weight of 206.52 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethenyl 2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 175302669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).