6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine

C7H10FNO — CID 118514849

IUPAC6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1(F)C=CC=CC1N
InChIInChI=1S/C7H10FNO/c1-10-7(8)5-3-2-4-6(7)9/h2-6H,9H2,1H3
InChIKeyXUMAVYUVGNTOMJ-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.75
Rot. Bonds1

About 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine

6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 118514849) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine
PubChem CID118514849
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1(F)C=CC=CC1N
InChIInChI=1S/C7H10FNO/c1-10-7(8)5-3-2-4-6(7)9/h2-6H,9H2,1H3
InChIKeyXUMAVYUVGNTOMJ-UHFFFAOYSA-N
XLogP0.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine (CID 118514849) is 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine is COC1(F)C=CC=CC1N.
What is the InChIKey of 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is XUMAVYUVGNTOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-10-7(8)5-3-2-4-6(7)9/h2-6H,9H2,1H3.
What are the key properties of 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine?
6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 143.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 118514849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).