2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol

C16H20FN3O2 — CID 151755530

IUPAC2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol
SMILESCCC(O)(Cn1ccnn1)c1ccc(F)cc1OCC1CC1
InChIInChI=1S/C16H20FN3O2/c1-2-16(21,11-20-8-7-18-19-20)14-6-5-13(17)9-15(14)22-10-12-3-4-12/h5-9,12,21H,2-4,10-11H2,1H3
InChIKeyRPLMCCQQJBRLMU-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.50
Rot. Bonds7

About 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol

2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol (PubChem CID 151755530) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol
PubChem CID151755530
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol
SMILESCCC(O)(Cn1ccnn1)c1ccc(F)cc1OCC1CC1
InChIInChI=1S/C16H20FN3O2/c1-2-16(21,11-20-8-7-18-19-20)14-6-5-13(17)9-15(14)22-10-12-3-4-12/h5-9,12,21H,2-4,10-11H2,1H3
InChIKeyRPLMCCQQJBRLMU-UHFFFAOYSA-N
XLogP2.50
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol?
The IUPAC name of 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol (CID 151755530) is 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol is CCC(O)(Cn1ccnn1)c1ccc(F)cc1OCC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol?
The InChIKey is RPLMCCQQJBRLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-16(21,11-20-8-7-18-19-20)14-6-5-13(17)9-15(14)22-10-12-3-4-12/h5-9,12,21H,2-4,10-11H2,1H3.
What are the key properties of 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol?
2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol has a molecular weight of 305.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(triazol-1-yl)butan-2-ol is sourced from PubChem (CID 151755530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).