1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C8H3F7O2 — CID 89386743

IUPAC1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1(F)CC2(F)C(F)=C(F)C1(F)C2(F)F
InChIInChI=1S/C8H3F7O2/c9-2-3(10)7(13)6(12,4(16)17)1-5(2,11)8(7,14)15/h1H2,(H,16,17)
InChIKeyZEWWBGVGNNMGLT-UHFFFAOYSA-N
MW264.10 g/mol
LogP2.40
Rot. Bonds1

About 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 89386743) has the molecular formula C8H3F7O2 and a molecular weight of 264.10 g/mol. Its IUPAC name is 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID89386743
Molecular FormulaC8H3F7O2
Molecular Weight264.10 g/mol
Exact Mass264.00
IUPAC Name1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1(F)CC2(F)C(F)=C(F)C1(F)C2(F)F
InChIInChI=1S/C8H3F7O2/c9-2-3(10)7(13)6(12,4(16)17)1-5(2,11)8(7,14)15/h1H2,(H,16,17)
InChIKeyZEWWBGVGNNMGLT-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
CID 15573718
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356
2,2-difluoro-3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 175668470
1-(2,3,5-trifluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117367168
ethane;3-fluoroazetidine-3-carboxylic acid
CID 144523535
9-oxobicyclo[3.3.1]nonane-1,5-dicarboxylic acid
CID 91401629
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 89386743) is 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(O)C1(F)CC2(F)C(F)=C(F)C1(F)C2(F)F.
What is the InChIKey of 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is ZEWWBGVGNNMGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F7O2/c9-2-3(10)7(13)6(12,4(16)17)1-5(2,11)8(7,14)15/h1H2,(H,16,17).
What are the key properties of 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 264.10 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 89386743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).