1-(1-fluoro-2,2-dimethylpropyl)benzotriazole

C11H14FN3 — CID 4562085

IUPAC1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
SMILESCC(C)(C)C(F)n1nnc2ccccc21
InChIInChI=1S/C11H14FN3/c1-11(2,3)10(12)15-9-7-5-4-6-8(9)13-14-15/h4-7,10H,1-3H3
InChIKeyDCOQPZXPDSLBTG-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.95
Rot. Bonds1

About 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole

1-(1-fluoro-2,2-dimethylpropyl)benzotriazole (PubChem CID 4562085) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole.

Molecular Properties

Compound Name1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
PubChem CID4562085
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
SMILESCC(C)(C)C(F)n1nnc2ccccc21
InChIInChI=1S/C11H14FN3/c1-11(2,3)10(12)15-9-7-5-4-6-8(9)13-14-15/h4-7,10H,1-3H3
InChIKeyDCOQPZXPDSLBTG-UHFFFAOYSA-N
XLogP2.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
1-(1,2-dibromo-3,3,3-trifluoropropyl)benzotriazole
CID 162787629
1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole
CID 3838668
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
tris(benzotriazol-1-yl)-tert-butyl-λ4-sulfane
CID 146336808
2-(benzotriazol-1-yl)-3-methylbutanamide
CID 46840686
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
N-[2-(benzotriazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62448568
1-[2-(benzotriazol-1-yl)-1,2-bis(phenylsulfanyl)ethyl]benzotriazole
CID 3750406

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole?
The IUPAC name of 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole (CID 4562085) is 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole.
What is the SMILES notation for 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole?
The canonical SMILES for 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole is CC(C)(C)C(F)n1nnc2ccccc21.
What is the InChIKey of 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole?
The InChIKey is DCOQPZXPDSLBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-11(2,3)10(12)15-9-7-5-4-6-8(9)13-14-15/h4-7,10H,1-3H3.
What are the key properties of 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole?
1-(1-fluoro-2,2-dimethylpropyl)benzotriazole has a molecular weight of 207.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-2,2-dimethylpropyl)benzotriazole is sourced from PubChem (CID 4562085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).