4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine

C8H11F2NO — CID 134365782

IUPAC4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(OC(F)F)=CC1
InChIInChI=1S/C8H11F2NO/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2,4-6,8,11H,3H2,1H3
InChIKeyXMYMKAMLJBAEML-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.66
Rot. Bonds3

About 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine

4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 134365782) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID134365782
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(OC(F)F)=CC1
InChIInChI=1S/C8H11F2NO/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2,4-6,8,11H,3H2,1H3
InChIKeyXMYMKAMLJBAEML-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine (CID 134365782) is 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine is CNC1C=CC(OC(F)F)=CC1.
What is the InChIKey of 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is XMYMKAMLJBAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2,4-6,8,11H,3H2,1H3.
What are the key properties of 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine?
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 175.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134365782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).