5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine

C8H8F3NO — CID 162587080

IUPAC5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine
SMILESNC1=CC=CC(OC(F)(F)F)C=C1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(12)4-5-7/h1-5,7H,12H2
InChIKeyWVFBMBVQYNCBQR-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.86
Rot. Bonds1

About 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine

5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine (PubChem CID 162587080) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine
PubChem CID162587080
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine
SMILESNC1=CC=CC(OC(F)(F)F)C=C1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(12)4-5-7/h1-5,7H,12H2
InChIKeyWVFBMBVQYNCBQR-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-Methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]azanium
CID 142974481
(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
CID 155442227
(2E,4Z)-6-methoxy-N-(trifluoromethyl)hepta-2,4-dien-3-amine
CID 155470395
4-(2,2,3,3-Tetrafluoropropoxy)cyclohexa-1,5-dien-1-amine
CID 164016935
(2Z,4E)-9,9,9-trifluoro-6-(2-methoxyethoxy)nona-2,4,7-trien-4-amine
CID 166651325
3-(Difluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 166815040
3-Methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 142974482
4-(Trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine
CID 143062481
(2E,6Z)-5-(trifluoromethoxy)octa-2,6-dien-2-amine
CID 143282277
(2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine
CID 143282299
4-(Difluoromethoxy)-2-fluorocyclohexa-1,5-dien-1-amine
CID 162552914
5-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 162567188

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine (CID 162587080) is 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine is NC1=CC=CC(OC(F)(F)F)C=C1.
What is the InChIKey of 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine?
The InChIKey is WVFBMBVQYNCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(12)4-5-7/h1-5,7H,12H2.
What are the key properties of 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine?
5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine has a molecular weight of 191.15 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 162587080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).