3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine

C11H12FN — CID 126589577

IUPAC3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine
SMILES[H]/N=C1\C=C(F)C(C)=C2CCCC=C21
InChIInChI=1S/C11H12FN/c1-7-8-4-2-3-5-9(8)11(13)6-10(7)12/h5-6,13H,2-4H2,1H3/b13-11+
InChIKeyIHHDXGUZAQBALG-ACCUITESSA-N
MW177.22 g/mol
LogP3.30
Rot. Bonds

About 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine

3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine (PubChem CID 126589577) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine.

Molecular Properties

Compound Name3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine
PubChem CID126589577
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine
SMILES[H]/N=C1\C=C(F)C(C)=C2CCCC=C21
InChIInChI=1S/C11H12FN/c1-7-8-4-2-3-5-9(8)11(13)6-10(7)12/h5-6,13H,2-4H2,1H3/b13-11+
InChIKeyIHHDXGUZAQBALG-ACCUITESSA-N
XLogP3.30
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methylcyclohex-3-ene-1,2-diimine
CID 143507678
3-fluoro-1-methylcyclohepta-1,3-diene
CID 143151930
6-tert-butyl-2-methylcyclohepta-2,6-dien-1-imine
CID 91437087
(6E)-6-ethylidene-5-fluoro-3-methylcyclohexa-2,4-dien-1-imine
CID 144524442
2-imino-4-methylsulfonyl-6,7-dihydronaphthalen-1-one
CID 154548481
3-bromo-1-methylcyclohepta-1,3-diene
CID 163730925
(1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene
CID 171086588
4,5-dimethylcyclohexa-3,5-diene-1,2-diimine;ethane;methanamine
CID 143629749
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-ethyl-3-methyl-5,6-dihydro-4H-indol-2-one
CID 12813892
1-(cyclopenten-1-yl)propan-1-imine
CID 138500381
3-(cyclohexen-1-yl)cyclohex-2-en-1-imine
CID 175712775

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine?
The IUPAC name of 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine (CID 126589577) is 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine.
What is the SMILES notation for 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine?
The canonical SMILES for 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine is [H]/N=C1\C=C(F)C(C)=C2CCCC=C21.
What is the InChIKey of 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine?
The InChIKey is IHHDXGUZAQBALG-ACCUITESSA-N. The full InChI is InChI=1S/C11H12FN/c1-7-8-4-2-3-5-9(8)11(13)6-10(7)12/h5-6,13H,2-4H2,1H3/b13-11+.
What are the key properties of 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine?
3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine has a molecular weight of 177.22 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine is sourced from PubChem (CID 126589577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).