2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid

C14H14F2O3 — CID 117424026

IUPAC2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(F)cc(F)c3c2OCCC3)CC1
InChIInChI=1S/C14H14F2O3/c15-9-6-10(16)12(13-8(9)2-1-5-19-13)14(3-4-14)7-11(17)18/h6H,1-5,7H2,(H,17,18)
InChIKeyIQVUIMNOCVUFOA-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.80
Rot. Bonds3

About 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid

2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid (PubChem CID 117424026) has the molecular formula C14H14F2O3 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid
PubChem CID117424026
Molecular FormulaC14H14F2O3
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(F)cc(F)c3c2OCCC3)CC1
InChIInChI=1S/C14H14F2O3/c15-9-6-10(16)12(13-8(9)2-1-5-19-13)14(3-4-14)7-11(17)18/h6H,1-5,7H2,(H,17,18)
InChIKeyIQVUIMNOCVUFOA-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid (CID 117424026) is 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid is O=C(O)CC1(c2c(F)cc(F)c3c2OCCC3)CC1.
What is the InChIKey of 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid?
The InChIKey is IQVUIMNOCVUFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O3/c15-9-6-10(16)12(13-8(9)2-1-5-19-13)14(3-4-14)7-11(17)18/h6H,1-5,7H2,(H,17,18).
What are the key properties of 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid?
2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid has a molecular weight of 268.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117424026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).