1-(cyclopropylmethyl)-4-fluorobenzotriazole

C10H10FN3 — CID 155514221

IUPAC1-(cyclopropylmethyl)-4-fluorobenzotriazole
SMILESFc1cccc2c1nnn2CC1CC1
InChIInChI=1S/C10H10FN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyYBVRVUUTGXCDTF-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.98
Rot. Bonds2

About 1-(cyclopropylmethyl)-4-fluorobenzotriazole

1-(cyclopropylmethyl)-4-fluorobenzotriazole (PubChem CID 155514221) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-fluorobenzotriazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-fluorobenzotriazole
PubChem CID155514221
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name1-(cyclopropylmethyl)-4-fluorobenzotriazole
SMILESFc1cccc2c1nnn2CC1CC1
InChIInChI=1S/C10H10FN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyYBVRVUUTGXCDTF-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-fluorobenzotriazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-fluorobenzotriazole (CID 155514221) is 1-(cyclopropylmethyl)-4-fluorobenzotriazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-fluorobenzotriazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-fluorobenzotriazole is Fc1cccc2c1nnn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-fluorobenzotriazole?
The InChIKey is YBVRVUUTGXCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2.
What are the key properties of 1-(cyclopropylmethyl)-4-fluorobenzotriazole?
1-(cyclopropylmethyl)-4-fluorobenzotriazole has a molecular weight of 191.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-fluorobenzotriazole is sourced from PubChem (CID 155514221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).