1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine

C9H12FN — CID 142987847

IUPAC1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
SMILESCNCC1=CCC=C(F)C=C1
InChIInChI=1S/C9H12FN/c1-11-7-8-3-2-4-9(10)6-5-8/h3-6,11H,2,7H2,1H3
InChIKeyFDLCXYAFAAMUMS-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.95
Rot. Bonds2

About 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine

1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine (PubChem CID 142987847) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
PubChem CID142987847
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
SMILESCNCC1=CCC=C(F)C=C1
InChIInChI=1S/C9H12FN/c1-11-7-8-3-2-4-9(10)6-5-8/h3-6,11H,2,7H2,1H3
InChIKeyFDLCXYAFAAMUMS-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine (CID 142987847) is 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine is CNCC1=CCC=C(F)C=C1.
What is the InChIKey of 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine?
The InChIKey is FDLCXYAFAAMUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-11-7-8-3-2-4-9(10)6-5-8/h3-6,11H,2,7H2,1H3.
What are the key properties of 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine?
1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine has a molecular weight of 153.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 142987847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).