3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine

C7H10FNO — CID 143206355

IUPAC3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine
SMILESCOC1=C(F)C=C(N)CC1
InChIInChI=1S/C7H10FNO/c1-10-7-3-2-5(9)4-6(7)8/h4H,2-3,9H2,1H3
InChIKeyIIZFNWDVSFCYAR-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.45
Rot. Bonds1

About 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine

3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine (PubChem CID 143206355) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine
PubChem CID143206355
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine
SMILESCOC1=C(F)C=C(N)CC1
InChIInChI=1S/C7H10FNO/c1-10-7-3-2-5(9)4-6(7)8/h4H,2-3,9H2,1H3
InChIKeyIIZFNWDVSFCYAR-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine (CID 143206355) is 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine is COC1=C(F)C=C(N)CC1.
What is the InChIKey of 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine?
The InChIKey is IIZFNWDVSFCYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-10-7-3-2-5(9)4-6(7)8/h4H,2-3,9H2,1H3.
What are the key properties of 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine?
3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine has a molecular weight of 143.16 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143206355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).