6-fluoro-2-methyl-1H-1,4-diazepine

C6H7FN2 — CID 141356719

IUPAC6-fluoro-2-methyl-1H-1,4-diazepine
SMILESCC1=CN=CC(F)=CN1
InChIInChI=1S/C6H7FN2/c1-5-2-8-3-6(7)4-9-5/h2-4,9H,1H3
InChIKeyIOMSAUBMXQSVMF-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.33
Rot. Bonds

About 6-fluoro-2-methyl-1H-1,4-diazepine

6-fluoro-2-methyl-1H-1,4-diazepine (PubChem CID 141356719) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1H-1,4-diazepine.

Molecular Properties

Compound Name6-fluoro-2-methyl-1H-1,4-diazepine
PubChem CID141356719
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name6-fluoro-2-methyl-1H-1,4-diazepine
SMILESCC1=CN=CC(F)=CN1
InChIInChI=1S/C6H7FN2/c1-5-2-8-3-6(7)4-9-5/h2-4,9H,1H3
InChIKeyIOMSAUBMXQSVMF-UHFFFAOYSA-N
XLogP1.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methylene-1,6-dihydropyrazine
CID 21133515
6-Amino-1,4-diazepine
CID 129823278
(E)-2-fluoro-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 89209833
3-(4-Fluorobutylimino)prop-1-ene-1,2-diamine
CID 164140973
(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
CID 166751069
2-N-methyl-3-(trifluoromethylimino)prop-1-ene-1,2-diamine
CID 173888910
3-(Difluoromethylimino)prop-1-ene-1,2-diamine
CID 173921914
3-(2-Fluoroethylimino)prop-1-ene-1,2-diamine
CID 174030401
(E,3E)-3-(1-fluoroethylimino)prop-1-ene-1,2-diamine
CID 164564506
5-methyl-2-methylidene-1H-pyrazine
CID 57672161
2-methyl-1H-1,4-diazepine
CID 67973247
(Z)-1-(ethylideneamino)-N-methylprop-1-en-2-amine
CID 88575589

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1H-1,4-diazepine?
The IUPAC name of 6-fluoro-2-methyl-1H-1,4-diazepine (CID 141356719) is 6-fluoro-2-methyl-1H-1,4-diazepine.
What is the SMILES notation for 6-fluoro-2-methyl-1H-1,4-diazepine?
The canonical SMILES for 6-fluoro-2-methyl-1H-1,4-diazepine is CC1=CN=CC(F)=CN1.
What is the InChIKey of 6-fluoro-2-methyl-1H-1,4-diazepine?
The InChIKey is IOMSAUBMXQSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-5-2-8-3-6(7)4-9-5/h2-4,9H,1H3.
What are the key properties of 6-fluoro-2-methyl-1H-1,4-diazepine?
6-fluoro-2-methyl-1H-1,4-diazepine has a molecular weight of 126.13 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1H-1,4-diazepine is sourced from PubChem (CID 141356719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).