1-(3-fluoro-4-methylphenyl)-1,3-diazinane

C11H15FN2 — CID 58414407

IUPAC1-(3-fluoro-4-methylphenyl)-1,3-diazinane
SMILESCc1ccc(N2CCCNC2)cc1F
InChIInChI=1S/C11H15FN2/c1-9-3-4-10(7-11(9)12)14-6-2-5-13-8-14/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyXARZQZFYGWXIRR-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.89
Rot. Bonds1

About 1-(3-fluoro-4-methylphenyl)-1,3-diazinane

1-(3-fluoro-4-methylphenyl)-1,3-diazinane (PubChem CID 58414407) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-1,3-diazinane.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-1,3-diazinane
PubChem CID58414407
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-1,3-diazinane
SMILESCc1ccc(N2CCCNC2)cc1F
InChIInChI=1S/C11H15FN2/c1-9-3-4-10(7-11(9)12)14-6-2-5-13-8-14/h3-4,7,13H,2,5-6,8H2,1H3
InChIKeyXARZQZFYGWXIRR-UHFFFAOYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane
CID 64943895
1-(3-fluoro-4-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944476
1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine
CID 155276373
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925990
3-tert-butyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925792
1-[[3-(3-fluoro-4-methylphenyl)triazol-4-yl]methyl]-1,4-diazepane
CID 56772245
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
1-(3,4-difluorophenyl)piperazine
CID 2783122
[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 64865831
4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
1-(5-bromo-2-methylphenyl)-1,4-diazepane
CID 64943208
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-1,3-diazinane?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-1,3-diazinane (CID 58414407) is 1-(3-fluoro-4-methylphenyl)-1,3-diazinane.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-1,3-diazinane?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-1,3-diazinane is Cc1ccc(N2CCCNC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-1,3-diazinane?
The InChIKey is XARZQZFYGWXIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-9-3-4-10(7-11(9)12)14-6-2-5-13-8-14/h3-4,7,13H,2,5-6,8H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-1,3-diazinane?
1-(3-fluoro-4-methylphenyl)-1,3-diazinane has a molecular weight of 194.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-1,3-diazinane is sourced from PubChem (CID 58414407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).