(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone

C9H7FN4O — CID 130758203

IUPAC(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)c2cccc(F)c2)n1
InChIInChI=1S/C9H7FN4O/c1-14-12-9(11-13-14)8(15)6-3-2-4-7(10)5-6/h2-5H,1H3
InChIKeyKTBDPOQBTFAKRN-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.58
Rot. Bonds2

About (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone

(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 130758203) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone
PubChem CID130758203
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)c2cccc(F)c2)n1
InChIInChI=1S/C9H7FN4O/c1-14-12-9(11-13-14)8(15)6-3-2-4-7(10)5-6/h2-5H,1H3
InChIKeyKTBDPOQBTFAKRN-UHFFFAOYSA-N
XLogP0.58
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone
CID 105079847
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
CID 103373214
[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
CID 116590706
1-(3-fluorophenyl)-2-methylprop-2-en-1-one
CID 11159505
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone
CID 87224437
[2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone
CID 146167325
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
3-fluorobenzoyl bromide
CID 20822510
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone (CID 130758203) is (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)c2cccc(F)c2)n1.
What is the InChIKey of (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is KTBDPOQBTFAKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c1-14-12-9(11-13-14)8(15)6-3-2-4-7(10)5-6/h2-5H,1H3.
What are the key properties of (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone?
(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 206.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130758203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).