1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine

C8H12FN — CID 143114176

IUPAC1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CC=CCC1F
InChIInChI=1S/C8H12FN/c1-10-6-7-4-2-3-5-8(7)9/h2-4,8,10H,5-6H2,1H3
InChIKeyZAQPSHOHZYBQCF-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.43
Rot. Bonds2

About 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine

1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine (PubChem CID 143114176) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
PubChem CID143114176
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CC=CCC1F
InChIInChI=1S/C8H12FN/c1-10-6-7-4-2-3-5-8(7)9/h2-4,8,10H,5-6H2,1H3
InChIKeyZAQPSHOHZYBQCF-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methyl]amine
CID 178190289
2,3,4,5-tetrahydro-1H-isoindole
CID 17907442
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
4-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 70267953
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
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(6-Fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 89165278
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine (CID 143114176) is 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine is CNCC1=CC=CCC1F.
What is the InChIKey of 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The InChIKey is ZAQPSHOHZYBQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-10-6-7-4-2-3-5-8(7)9/h2-4,8,10H,5-6H2,1H3.
What are the key properties of 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine has a molecular weight of 141.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 143114176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).