(3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone

C7H8F2N4O — CID 127011837

IUPAC(3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CC(F)(F)C2)n1
InChIInChI=1S/C7H8F2N4O/c1-13-11-6(10-12-13)5(14)4-2-7(8,9)3-4/h4H,2-3H2,1H3
InChIKeyDIXDIBGPGWKBAF-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.44
Rot. Bonds2

About (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone

(3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 127011837) has the molecular formula C7H8F2N4O and a molecular weight of 202.16 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone
PubChem CID127011837
Molecular FormulaC7H8F2N4O
Molecular Weight202.16 g/mol
Exact Mass202.07
IUPAC Name(3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CC(F)(F)C2)n1
InChIInChI=1S/C7H8F2N4O/c1-13-11-6(10-12-13)5(14)4-2-7(8,9)3-4/h4H,2-3H2,1H3
InChIKeyDIXDIBGPGWKBAF-UHFFFAOYSA-N
XLogP0.44
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-1-(2-methyltetrazol-5-yl)butan-1-one
CID 127004793
2-Cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
CID 130905535

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone (CID 127011837) is (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2CC(F)(F)C2)n1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is DIXDIBGPGWKBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O/c1-13-11-6(10-12-13)5(14)4-2-7(8,9)3-4/h4H,2-3H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone?
(3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 202.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 127011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).