4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine

C8H12FNO2 — CID 154124446

IUPAC4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine
SMILESCOC1=C(N)C=CC(F)(OC)C1
InChIInChI=1S/C8H12FNO2/c1-11-7-5-8(9,12-2)4-3-6(7)10/h3-4H,5,10H2,1-2H3
InChIKeyKINVQGUJVOHKEA-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.08
Rot. Bonds2

About 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine

4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine (PubChem CID 154124446) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine
PubChem CID154124446
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine
SMILESCOC1=C(N)C=CC(F)(OC)C1
InChIInChI=1S/C8H12FNO2/c1-11-7-5-8(9,12-2)4-3-6(7)10/h3-4H,5,10H2,1-2H3
InChIKeyKINVQGUJVOHKEA-UHFFFAOYSA-N
XLogP1.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine (CID 154124446) is 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine is COC1=C(N)C=CC(F)(OC)C1.
What is the InChIKey of 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine?
The InChIKey is KINVQGUJVOHKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-11-7-5-8(9,12-2)4-3-6(7)10/h3-4H,5,10H2,1-2H3.
What are the key properties of 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine?
4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine has a molecular weight of 173.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,4-dimethoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 154124446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).