(5S)-5-fluoro-5-methyl-1,3-diazepine

C6H7FN2 — CID 145348431

IUPAC(5S)-5-fluoro-5-methyl-1,3-diazepine
SMILESC[C@]1(F)C=CN=CN=C1
InChIInChI=1S/C6H7FN2/c1-6(7)2-3-8-5-9-4-6/h2-5H,1H3/t6-/m0/s1
InChIKeyFZSMUCPGAVMNIH-LURJTMIESA-N
MW126.13 g/mol
LogP1.34
Rot. Bonds

About (5S)-5-fluoro-5-methyl-1,3-diazepine

(5S)-5-fluoro-5-methyl-1,3-diazepine (PubChem CID 145348431) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is (5S)-5-fluoro-5-methyl-1,3-diazepine.

Molecular Properties

Compound Name(5S)-5-fluoro-5-methyl-1,3-diazepine
PubChem CID145348431
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name(5S)-5-fluoro-5-methyl-1,3-diazepine
SMILESC[C@]1(F)C=CN=CN=C1
InChIInChI=1S/C6H7FN2/c1-6(7)2-3-8-5-9-4-6/h2-5H,1H3/t6-/m0/s1
InChIKeyFZSMUCPGAVMNIH-LURJTMIESA-N
XLogP1.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-5-methyl-1,3-diazepine?
The IUPAC name of (5S)-5-fluoro-5-methyl-1,3-diazepine (CID 145348431) is (5S)-5-fluoro-5-methyl-1,3-diazepine.
What is the SMILES notation for (5S)-5-fluoro-5-methyl-1,3-diazepine?
The canonical SMILES for (5S)-5-fluoro-5-methyl-1,3-diazepine is C[C@]1(F)C=CN=CN=C1.
What is the InChIKey of (5S)-5-fluoro-5-methyl-1,3-diazepine?
The InChIKey is FZSMUCPGAVMNIH-LURJTMIESA-N. The full InChI is InChI=1S/C6H7FN2/c1-6(7)2-3-8-5-9-4-6/h2-5H,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-fluoro-5-methyl-1,3-diazepine?
(5S)-5-fluoro-5-methyl-1,3-diazepine has a molecular weight of 126.13 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-5-methyl-1,3-diazepine is sourced from PubChem (CID 145348431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).