(1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol

C16H14FN3O — CID 14990565

IUPAC(1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc2c(c1)nnn2C1CC1
InChIInChI=1S/C16H14FN3O/c17-12-4-1-10(2-5-12)16(21)11-3-8-15-14(9-11)18-19-20(15)13-6-7-13/h1-5,8-9,13,16,21H,6-7H2
InChIKeyUTDWHWGWMCJPEF-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.99
Rot. Bonds3

About (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol

(1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol (PubChem CID 14990565) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol
PubChem CID14990565
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc2c(c1)nnn2C1CC1
InChIInChI=1S/C16H14FN3O/c17-12-4-1-10(2-5-12)16(21)11-3-8-15-14(9-11)18-19-20(15)13-6-7-13/h1-5,8-9,13,16,21H,6-7H2
InChIKeyUTDWHWGWMCJPEF-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol?
The IUPAC name of (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol (CID 14990565) is (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol?
The canonical SMILES for (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1ccc2c(c1)nnn2C1CC1.
What is the InChIKey of (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol?
The InChIKey is UTDWHWGWMCJPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-12-4-1-10(2-5-12)16(21)11-3-8-15-14(9-11)18-19-20(15)13-6-7-13/h1-5,8-9,13,16,21H,6-7H2.
What are the key properties of (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol?
(1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol has a molecular weight of 283.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylbenzotriazol-5-yl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 14990565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).