1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate

C6H2F8O2 — CID 59386467

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)/C(F)=C/F
InChIInChI=1S/C6H2F8O2/c7-1-2(8)3(15)16-4(5(9,10)11)6(12,13)14/h1,4H/b2-1-
InChIKeyNLBCHYSFUCUDGY-UPHRSURJSA-N
MW258.06 g/mol
LogP2.80
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate

1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate (PubChem CID 59386467) has the molecular formula C6H2F8O2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate
PubChem CID59386467
Molecular FormulaC6H2F8O2
Molecular Weight258.06 g/mol
Exact Mass257.99
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)/C(F)=C/F
InChIInChI=1S/C6H2F8O2/c7-1-2(8)3(15)16-4(5(9,10)11)6(12,13)14/h1,4H/b2-1-
InChIKeyNLBCHYSFUCUDGY-UPHRSURJSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
CID 10959380
1,1,1,3,3,3-hexafluoropropan-2-yl 2-iodoprop-2-enoate
CID 155054400
1,1,1,3,3,3-hexafluoropropan-2-yl 3-fluoroprop-2-enoate
CID 87421784
1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxoacetate
CID 146341400
1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 4-O-propan-2-yl 2-methylidenebutanedioate
CID 139842361
[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2-fluoroprop-2-enoate
CID 58789608
2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid
CID 155383254
1,1,1,2,3,3,3-heptafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;sulfuric acid
CID 158857444
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylbutanoate
CID 162592800
1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate
CID 174657461
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2,3-bis(trimethylsilyl)butanedioate
CID 85253467
[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2-methylprop-2-enoate
CID 11199384

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate (CID 59386467) is 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate is O=C(OC(C(F)(F)F)C(F)(F)F)/C(F)=C/F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate?
The InChIKey is NLBCHYSFUCUDGY-UPHRSURJSA-N. The full InChI is InChI=1S/C6H2F8O2/c7-1-2(8)3(15)16-4(5(9,10)11)6(12,13)14/h1,4H/b2-1-.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate?
1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate has a molecular weight of 258.06 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl (Z)-2,3-difluoroprop-2-enoate is sourced from PubChem (CID 59386467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).