4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine

C8H9F4NO — CID 166943989

IUPAC4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine
SMILESCNC1=C(OC(F)(F)F)C=C(F)CC1
InChIInChI=1S/C8H9F4NO/c1-13-6-3-2-5(9)4-7(6)14-8(10,11)12/h4,13H,2-3H2,1H3
InChIKeyNHBQJUSNCJUGEB-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.60
Rot. Bonds2

About 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine

4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine (PubChem CID 166943989) has the molecular formula C8H9F4NO and a molecular weight of 211.16 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine
PubChem CID166943989
Molecular FormulaC8H9F4NO
Molecular Weight211.16 g/mol
Exact Mass211.06
IUPAC Name4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine
SMILESCNC1=C(OC(F)(F)F)C=C(F)CC1
InChIInChI=1S/C8H9F4NO/c1-13-6-3-2-5(9)4-7(6)14-8(10,11)12/h4,13H,2-3H2,1H3
InChIKeyNHBQJUSNCJUGEB-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methoxy-N,5-dimethylcyclohexa-1,3-dien-1-amine
CID 89291177
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine
CID 143062489
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
N-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 153651005

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine (CID 166943989) is 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine is CNC1=C(OC(F)(F)F)C=C(F)CC1.
What is the InChIKey of 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine?
The InChIKey is NHBQJUSNCJUGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO/c1-13-6-3-2-5(9)4-7(6)14-8(10,11)12/h4,13H,2-3H2,1H3.
What are the key properties of 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine?
4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine has a molecular weight of 211.16 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 166943989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).