7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine

C10H11FN2 — CID 59473985

IUPAC7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine
SMILESC=C1NCCc2cc(F)ccc2N1
InChIInChI=1S/C10H11FN2/c1-7-12-5-4-8-6-9(11)2-3-10(8)13-7/h2-3,6,12-13H,1,4-5H2
InChIKeyAXTLVFMFUZKMSP-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.85
Rot. Bonds

About 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine

7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine (PubChem CID 59473985) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine.

Molecular Properties

Compound Name7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine
PubChem CID59473985
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine
SMILESC=C1NCCc2cc(F)ccc2N1
InChIInChI=1S/C10H11FN2/c1-7-12-5-4-8-6-9(11)2-3-10(8)13-7/h2-3,6,12-13H,1,4-5H2
InChIKeyAXTLVFMFUZKMSP-UHFFFAOYSA-N
XLogP1.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine?
The IUPAC name of 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine (CID 59473985) is 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine.
What is the SMILES notation for 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine?
The canonical SMILES for 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine is C=C1NCCc2cc(F)ccc2N1.
What is the InChIKey of 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine?
The InChIKey is AXTLVFMFUZKMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-7-12-5-4-8-6-9(11)2-3-10(8)13-7/h2-3,6,12-13H,1,4-5H2.
What are the key properties of 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine?
7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine has a molecular weight of 178.21 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methylidene-1,3,4,5-tetrahydro-1,3-benzodiazepine is sourced from PubChem (CID 59473985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).