3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine

C7H9F2NO — CID 163539633

IUPAC3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC(OC(F)F)=CCC1
InChIInChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h3-4,7H,1-2,10H2
InChIKeyDZZYMOAXOYXUCL-UHFFFAOYSA-N
MW161.15 g/mol
LogP1.75
Rot. Bonds2

About 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine

3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine (PubChem CID 163539633) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine
PubChem CID163539633
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC(OC(F)F)=CCC1
InChIInChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h3-4,7H,1-2,10H2
InChIKeyDZZYMOAXOYXUCL-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 89073763
4-Fluoro-2-methoxycyclohexa-1,3-dien-1-amine
CID 130436235
5-(Difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
CID 135190298
(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine
CID 139473198
2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 143073553
(Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine
CID 143725824
4-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 153629789
3-(Difluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 166815040
2-Fluoro-3-methoxycyclohexa-1,3-dien-1-amine
CID 173111203
4-(Trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine
CID 143062481
5-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 162567188
4-(Trifluoromethoxy)cyclohexa-1,2,4-trien-1-amine
CID 176524315

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine (CID 163539633) is 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine is NC1=CC(OC(F)F)=CCC1.
What is the InChIKey of 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine?
The InChIKey is DZZYMOAXOYXUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h3-4,7H,1-2,10H2.
What are the key properties of 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine?
3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine has a molecular weight of 161.15 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 163539633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).