(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine

C10H12F3NO — CID 143062489

IUPAC(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine
SMILESCN/C1=C/CC=C(OC(F)(F)F)/C=C\C1
InChIInChI=1S/C10H12F3NO/c1-14-8-4-2-6-9(7-3-5-8)15-10(11,12)13/h2,5-7,14H,3-4H2,1H3/b6-2-,8-5+,9-7?
InChIKeyKCOFMDGFKNAMSD-ZMCXEQDASA-N
MW219.21 g/mol
LogP2.86
Rot. Bonds2

About (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine

(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine (PubChem CID 143062489) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine
PubChem CID143062489
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine
SMILESCN/C1=C/CC=C(OC(F)(F)F)/C=C\C1
InChIInChI=1S/C10H12F3NO/c1-14-8-4-2-6-9(7-3-5-8)15-10(11,12)13/h2,5-7,14H,3-4H2,1H3/b6-2-,8-5+,9-7?
InChIKeyKCOFMDGFKNAMSD-ZMCXEQDASA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
CID 88870809
2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365758
5-(difluoromethoxy)-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365783
4-fluoro-3-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969724
(3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 143206141
(3Z)-N-methyl-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 143206173
4-fluoro-N-methyl-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 166943989
5-(Difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine
CID 171833064
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
3-methoxy-N-methylcyclohepta-1,3,5-trien-1-amine
CID 143303197

Frequently Asked Questions

What is the IUPAC name of (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine?
The IUPAC name of (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine (CID 143062489) is (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine.
What is the SMILES notation for (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine?
The canonical SMILES for (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine is CN/C1=C/CC=C(OC(F)(F)F)/C=C\C1.
What is the InChIKey of (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine?
The InChIKey is KCOFMDGFKNAMSD-ZMCXEQDASA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14-8-4-2-6-9(7-3-5-8)15-10(11,12)13/h2,5-7,14H,3-4H2,1H3/b6-2-,8-5+,9-7?.
What are the key properties of (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine?
(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine has a molecular weight of 219.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine is sourced from PubChem (CID 143062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).