1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine

C8H12FN — CID 70372203

IUPAC1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CCC(F)C=C1
InChIInChI=1S/C8H12FN/c1-10-6-7-2-4-8(9)5-3-7/h2-4,8,10H,5-6H2,1H3
InChIKeyJTTOKZIZNXDTFA-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.43
Rot. Bonds2

About 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine (PubChem CID 70372203) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
PubChem CID70372203
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CCC(F)C=C1
InChIInChI=1S/C8H12FN/c1-10-6-7-2-4-8(9)5-3-7/h2-4,8,10H,5-6H2,1H3
InChIKeyJTTOKZIZNXDTFA-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine (CID 70372203) is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine is CNCC1=CCC(F)C=C1.
What is the InChIKey of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The InChIKey is JTTOKZIZNXDTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-10-6-7-2-4-8(9)5-3-7/h2-4,8,10H,5-6H2,1H3.
What are the key properties of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
1-(4-fluorocyclohexa-1,5-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-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 70372203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).