2-fluoroethyl 2,3,3,3-tetrafluoropropanoate

C5H5F5O2 — CID 134247673

IUPAC2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
SMILESO=C(OCCF)C(F)C(F)(F)F
InChIInChI=1S/C5H5F5O2/c6-1-2-12-4(11)3(7)5(8,9)10/h3H,1-2H2
InChIKeyKRPQKALTDITDHD-UHFFFAOYSA-N
MW192.08 g/mol
LogP1.40
Rot. Bonds3

About 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate

2-fluoroethyl 2,3,3,3-tetrafluoropropanoate (PubChem CID 134247673) has the molecular formula C5H5F5O2 and a molecular weight of 192.08 g/mol. Its IUPAC name is 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
PubChem CID134247673
Molecular FormulaC5H5F5O2
Molecular Weight192.08 g/mol
Exact Mass192.02
IUPAC Name2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
SMILESO=C(OCCF)C(F)C(F)(F)F
InChIInChI=1S/C5H5F5O2/c6-1-2-12-4(11)3(7)5(8,9)10/h3H,1-2H2
InChIKeyKRPQKALTDITDHD-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
CID 88537567
difluoromethyl 2-fluoroethyl carbonate
CID 87091095
2-fluoroethyl 2-sulfanylpropanoate
CID 154185031
(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
2-hydroxypent-4-enyl 2,3,3,3-tetrafluoropropanoate
CID 155774744
1-chloroethenyl 2,3,3,3-tetrafluoropropanoate
CID 175302669
2-fluoroethyl carbonochloridate
CID 10017
1,1,1,2-tetrafluoro-2-(2-fluoroethoxy)ethane
CID 12856929
fluoro 2-fluoroethyl carbonate
CID 175101723
bis(2-fluoroethyl) 2-ethylbutanedioate
CID 20768695
heptyl 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluorononanoate
CID 14195203
2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate
CID 160659277

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate?
The IUPAC name of 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate (CID 134247673) is 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate is O=C(OCCF)C(F)C(F)(F)F.
What is the InChIKey of 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate?
The InChIKey is KRPQKALTDITDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O2/c6-1-2-12-4(11)3(7)5(8,9)10/h3H,1-2H2.
What are the key properties of 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate?
2-fluoroethyl 2,3,3,3-tetrafluoropropanoate has a molecular weight of 192.08 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 134247673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).