4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine

C8H10ClF2NO — CID 162619689

IUPAC4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine
SMILESCC1(OC(F)(F)Cl)C=CC(N)=CC1
InChIInChI=1S/C8H10ClF2NO/c1-7(13-8(9,10)11)4-2-6(12)3-5-7/h2-4H,5,12H2,1H3
InChIKeyADBHANSPVWBRRI-UHFFFAOYSA-N
MW209.62 g/mol
LogP2.35
Rot. Bonds2

About 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine

4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine (PubChem CID 162619689) has the molecular formula C8H10ClF2NO and a molecular weight of 209.62 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine
PubChem CID162619689
Molecular FormulaC8H10ClF2NO
Molecular Weight209.62 g/mol
Exact Mass209.04
IUPAC Name4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine
SMILESCC1(OC(F)(F)Cl)C=CC(N)=CC1
InChIInChI=1S/C8H10ClF2NO/c1-7(13-8(9,10)11)4-2-6(12)3-5-7/h2-4H,5,12H2,1H3
InChIKeyADBHANSPVWBRRI-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.62
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine (CID 162619689) is 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine is CC1(OC(F)(F)Cl)C=CC(N)=CC1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is ADBHANSPVWBRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2NO/c1-7(13-8(9,10)11)4-2-6(12)3-5-7/h2-4H,5,12H2,1H3.
What are the key properties of 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine?
4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 209.62 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-4-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 162619689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).