4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol

C14H16FN3O — CID 114685403

IUPAC4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
SMILESCCCn1nncc1C1(O)CCc2c(F)cccc21
InChIInChI=1S/C14H16FN3O/c1-2-8-18-13(9-16-17-18)14(19)7-6-10-11(14)4-3-5-12(10)15/h3-5,9,19H,2,6-8H2,1H3
InChIKeyGXZJVPVMWJTORS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.01
Rot. Bonds3

About 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol

4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol (PubChem CID 114685403) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
PubChem CID114685403
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
SMILESCCCn1nncc1C1(O)CCc2c(F)cccc21
InChIInChI=1S/C14H16FN3O/c1-2-8-18-13(9-16-17-18)14(19)7-6-10-11(14)4-3-5-12(10)15/h3-5,9,19H,2,6-8H2,1H3
InChIKeyGXZJVPVMWJTORS-UHFFFAOYSA-N
XLogP2.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
CID 83069798
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-fluoro-2,3-dihydroinden-1-ol
CID 114637980
1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 114684610
4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol
CID 83068934
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
CID 83069257
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 83069805
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)pentanoic acid
CID 83069818
1-(2-propylpyrazol-3-yl)-2,3-dihydroinden-1-ol
CID 63976085
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 103564590

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol (CID 114685403) is 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol is CCCn1nncc1C1(O)CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol?
The InChIKey is GXZJVPVMWJTORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-8-18-13(9-16-17-18)14(19)7-6-10-11(14)4-3-5-12(10)15/h3-5,9,19H,2,6-8H2,1H3.
What are the key properties of 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol has a molecular weight of 261.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 114685403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).