5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine

C7H10FNO — CID 89073888

IUPAC5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1CC=C(N)C=C1F
InChIInChI=1S/C7H10FNO/c1-10-7-3-2-5(9)4-6(7)8/h2,4,7H,3,9H2,1H3
InChIKeyZYHJVELTNXTASZ-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.10
Rot. Bonds1

About 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine

5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine (PubChem CID 89073888) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine
PubChem CID89073888
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1CC=C(N)C=C1F
InChIInChI=1S/C7H10FNO/c1-10-7-3-2-5(9)4-6(7)8/h2,4,7H,3,9H2,1H3
InChIKeyZYHJVELTNXTASZ-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine (CID 89073888) is 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine is COC1CC=C(N)C=C1F.
What is the InChIKey of 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine?
The InChIKey is ZYHJVELTNXTASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-10-7-3-2-5(9)4-6(7)8/h2,4,7H,3,9H2,1H3.
What are the key properties of 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine?
5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine has a molecular weight of 143.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89073888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).