3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol

C15H14FN3O2 — CID 174435336

IUPAC3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESOC(CCc1occc1-c1cccc(F)c1)c1ncn[nH]1
InChIInChI=1S/C15H14FN3O2/c16-11-3-1-2-10(8-11)12-6-7-21-14(12)5-4-13(20)15-17-9-18-19-15/h1-3,6-9,13,20H,4-5H2,(H,17,18,19)
InChIKeyPNRBUTPAWNNPHI-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.87
Rot. Bonds5

About 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol

3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (PubChem CID 174435336) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
PubChem CID174435336
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESOC(CCc1occc1-c1cccc(F)c1)c1ncn[nH]1
InChIInChI=1S/C15H14FN3O2/c16-11-3-1-2-10(8-11)12-6-7-21-14(12)5-4-13(20)15-17-9-18-19-15/h1-3,6-9,13,20H,4-5H2,(H,17,18,19)
InChIKeyPNRBUTPAWNNPHI-UHFFFAOYSA-N
XLogP2.87
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The IUPAC name of 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (CID 174435336) is 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The canonical SMILES for 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is OC(CCc1occc1-c1cccc(F)c1)c1ncn[nH]1.
What is the InChIKey of 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The InChIKey is PNRBUTPAWNNPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-11-3-1-2-10(8-11)12-6-7-21-14(12)5-4-13(20)15-17-9-18-19-15/h1-3,6-9,13,20H,4-5H2,(H,17,18,19).
What are the key properties of 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol has a molecular weight of 287.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is sourced from PubChem (CID 174435336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).