5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid

C20H21F2NO3 — CID 121447424

IUPAC5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1ccc(-c2cccnc2OCC2CC2)cc1
InChIInChI=1S/C20H21F2NO3/c21-20(22,11-1-4-18(24)25)16-9-7-15(8-10-16)17-3-2-12-23-19(17)26-13-14-5-6-14/h2-3,7-10,12,14H,1,4-6,11,13H2,(H,24,25)
InChIKeyMOOIUYDVUKLAQT-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.88
Rot. Bonds9

About 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid

5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid (PubChem CID 121447424) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid
PubChem CID121447424
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1ccc(-c2cccnc2OCC2CC2)cc1
InChIInChI=1S/C20H21F2NO3/c21-20(22,11-1-4-18(24)25)16-9-7-15(8-10-16)17-3-2-12-23-19(17)26-13-14-5-6-14/h2-3,7-10,12,14H,1,4-6,11,13H2,(H,24,25)
InChIKeyMOOIUYDVUKLAQT-UHFFFAOYSA-N
XLogP4.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57706227
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CID 57707110
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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid?
The IUPAC name of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid (CID 121447424) is 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid.
What is the SMILES notation for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid?
The canonical SMILES for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid is O=C(O)CCCC(F)(F)c1ccc(-c2cccnc2OCC2CC2)cc1.
What is the InChIKey of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid?
The InChIKey is MOOIUYDVUKLAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c21-20(22,11-1-4-18(24)25)16-9-7-15(8-10-16)17-3-2-12-23-19(17)26-13-14-5-6-14/h2-3,7-10,12,14H,1,4-6,11,13H2,(H,24,25).
What are the key properties of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid?
5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid has a molecular weight of 361.39 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]phenyl]-5,5-difluoropentanoic acid is sourced from PubChem (CID 121447424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).