(3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

C11H11F3O3 — CID 165405087

IUPAC(3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1ccoc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H11F3O3/c12-11(13,14)10(2-3-10)8(5-9(15)16)7-1-4-17-6-7/h1,4,6,8H,2-3,5H2,(H,15,16)/t8-/m1/s1
InChIKeyKMRHSIDOTVMHCR-MRVPVSSYSA-N
MW248.20 g/mol
LogP3.18
Rot. Bonds4

About (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

(3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 165405087) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID165405087
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name(3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1ccoc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H11F3O3/c12-11(13,14)10(2-3-10)8(5-9(15)16)7-1-4-17-6-7/h1,4,6,8H,2-3,5H2,(H,15,16)/t8-/m1/s1
InChIKeyKMRHSIDOTVMHCR-MRVPVSSYSA-N
XLogP3.18
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (CID 165405087) is (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is O=C(O)C[C@H](c1ccoc1)C1(C(F)(F)F)CC1.
What is the InChIKey of (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is KMRHSIDOTVMHCR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F3O3/c12-11(13,14)10(2-3-10)8(5-9(15)16)7-1-4-17-6-7/h1,4,6,8H,2-3,5H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
(3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid has a molecular weight of 248.20 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 165405087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).