4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine

C8H8F3N — CID 142264208

IUPAC4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
SMILESNC1=CC=C(C(F)(F)F)CC=C1
InChIInChI=1S/C8H8F3N/c9-8(10,11)6-2-1-3-7(12)5-4-6/h1,3-5H,2,12H2
InChIKeyNEACUCJDJHTEDJ-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.28
Rot. Bonds

About 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine

4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine (PubChem CID 142264208) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
PubChem CID142264208
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
SMILESNC1=CC=C(C(F)(F)F)CC=C1
InChIInChI=1S/C8H8F3N/c9-8(10,11)6-2-1-3-7(12)5-4-6/h1,3-5H,2,12H2
InChIKeyNEACUCJDJHTEDJ-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo[7]annulen-7-amine
CID 19915662
6-(Trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 20278634
3-(Trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 70669625
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(3E)-6,7-difluorohepta-1,3-dien-3-amine
CID 89074111
CID 89088339
CID 89088339
3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
CID 89122883
4-Fluorocyclohepta-1,3,6-trien-1-amine
CID 89134403
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine
CID 89153824

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine (CID 142264208) is 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine is NC1=CC=C(C(F)(F)F)CC=C1.
What is the InChIKey of 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The InChIKey is NEACUCJDJHTEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)6-2-1-3-7(12)5-4-6/h1,3-5H,2,12H2.
What are the key properties of 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine has a molecular weight of 175.15 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 142264208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).