1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine

C8H10F3N — CID 89009809

IUPAC1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine
SMILESNC(C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C8H10F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h2,4-5,7H,1,3,12H2
InChIKeyGNWHRJQYWXJWKZ-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.15
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine

1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine (PubChem CID 89009809) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine
PubChem CID89009809
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine
SMILESNC(C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C8H10F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h2,4-5,7H,1,3,12H2
InChIKeyGNWHRJQYWXJWKZ-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 17753774
CID 17753774
2-Methyleneaniline
CID 70393655
1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
6-Fluorocyclohexa-2,4-dien-1-amine
CID 23505185
5,6-Difluorocyclohexa-2,4-dien-1-amine
CID 23505194
6-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 23505215
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67321718
[1-Fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67402819
3-Fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 67710936
4-Fluorocyclohexa-2,4-dien-1-amine
CID 68016326
4-Ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-amine
CID 68084234
3,6-Difluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 69362924

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine (CID 89009809) is 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine is NC(C1=CCCC=C1)C(F)(F)F.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine?
The InChIKey is GNWHRJQYWXJWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h2,4-5,7H,1,3,12H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine?
1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine has a molecular weight of 177.17 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 89009809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).