trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid

C8H6F2O3 — CID 178194016

IUPACtrans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1[C@H](c2ccoc2)C1(F)F
InChIInChI=1S/C8H6F2O3/c9-8(10)5(6(8)7(11)12)4-1-2-13-3-4/h1-3,5-6H,(H,11,12)/t5-,6+/m0/s1
InChIKeyZFEOFUUSWZWZKP-NTSWFWBYSA-N
MW188.13 g/mol
LogP1.71
Rot. Bonds2

About trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid

trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 178194016) has the molecular formula C8H6F2O3 and a molecular weight of 188.13 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid
PubChem CID178194016
Molecular FormulaC8H6F2O3
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Nametrans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1[C@H](c2ccoc2)C1(F)F
InChIInChI=1S/C8H6F2O3/c9-8(10)5(6(8)7(11)12)4-1-2-13-3-4/h1-3,5-6H,(H,11,12)/t5-,6+/m0/s1
InChIKeyZFEOFUUSWZWZKP-NTSWFWBYSA-N
XLogP1.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid (CID 178194016) is trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1[C@H](c2ccoc2)C1(F)F.
What is the InChIKey of trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ZFEOFUUSWZWZKP-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H6F2O3/c9-8(10)5(6(8)7(11)12)4-1-2-13-3-4/h1-3,5-6H,(H,11,12)/t5-,6+/m0/s1.
What are the key properties of trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid?
trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 188.13 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2,2-difluoro-3-(furan-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 178194016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).