4-(fluoromethyl)-1-propan-2-yltriazole

C6H10FN3 — CID 58384196

IUPAC4-(fluoromethyl)-1-propan-2-yltriazole
SMILESCC(C)n1cc(CF)nn1
InChIInChI=1S/C6H10FN3/c1-5(2)10-4-6(3-7)8-9-10/h4-5H,3H2,1-2H3
InChIKeyBXIKGIBUSYYNMO-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.33
Rot. Bonds2

About 4-(fluoromethyl)-1-propan-2-yltriazole

4-(fluoromethyl)-1-propan-2-yltriazole (PubChem CID 58384196) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-propan-2-yltriazole.

Molecular Properties

Compound Name4-(fluoromethyl)-1-propan-2-yltriazole
PubChem CID58384196
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name4-(fluoromethyl)-1-propan-2-yltriazole
SMILESCC(C)n1cc(CF)nn1
InChIInChI=1S/C6H10FN3/c1-5(2)10-4-6(3-7)8-9-10/h4-5H,3H2,1-2H3
InChIKeyBXIKGIBUSYYNMO-UHFFFAOYSA-N
XLogP1.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(trifluoromethyl)-1H-1,2,3-triazole
CID 14489354
1,5-dimethyl-1H-1,2,3-triazole
CID 15257141
2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
4-(chloromethyl)-1-methyl-1H-1,2,3-triazole
CID 22321556
4-ethynyl-1-methyl-1H-1,2,3-triazole
CID 22944534
4-(chloromethyl)-1-ethyl-1H-1,2,3-triazole
CID 55211891
4-(chloromethyl)-1-cyclopropyl-1H-1,2,3-triazole
CID 126973353
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
4-Methyl-1-prop-2-enyltriazole
CID 13553893
1,4-Dimethyl-1H-1,2,3-triazole
CID 15257142
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-propan-2-yltriazole?
The IUPAC name of 4-(fluoromethyl)-1-propan-2-yltriazole (CID 58384196) is 4-(fluoromethyl)-1-propan-2-yltriazole.
What is the SMILES notation for 4-(fluoromethyl)-1-propan-2-yltriazole?
The canonical SMILES for 4-(fluoromethyl)-1-propan-2-yltriazole is CC(C)n1cc(CF)nn1.
What is the InChIKey of 4-(fluoromethyl)-1-propan-2-yltriazole?
The InChIKey is BXIKGIBUSYYNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-5(2)10-4-6(3-7)8-9-10/h4-5H,3H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-1-propan-2-yltriazole?
4-(fluoromethyl)-1-propan-2-yltriazole has a molecular weight of 143.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-propan-2-yltriazole is sourced from PubChem (CID 58384196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).