3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine

C13H20F3N — CID 118588923

IUPAC3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
SMILESCCCCCCC1C(N)=CC(F)=C(F)C1(C)F
InChIInChI=1S/C13H20F3N/c1-3-4-5-6-7-9-11(17)8-10(14)12(15)13(9,2)16/h8-9H,3-7,17H2,1-2H3
InChIKeyFCPZZFUOXGBYPH-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.31
Rot. Bonds5

About 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine

3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 118588923) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID118588923
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
SMILESCCCCCCC1C(N)=CC(F)=C(F)C1(C)F
InChIInChI=1S/C13H20F3N/c1-3-4-5-6-7-9-11(17)8-10(14)12(15)13(9,2)16/h8-9H,3-7,17H2,1-2H3
InChIKeyFCPZZFUOXGBYPH-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-1-methyl-3-oxocyclopropane-1-carbaldehyde
CID 170689663
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
ethane;octadecane
CID 143981738
3-heptyl-2-methyloxiran-2-amine
CID 74220849
1,2,3-trifluoro-3-(4-heptylcyclohexyl)cyclohexa-1,4-diene
CID 18702610
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-heptyl-3-octyloxirane
CID 57269313
4-hexylcyclopentene
CID 10487053

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine (CID 118588923) is 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine is CCCCCCC1C(N)=CC(F)=C(F)C1(C)F.
What is the InChIKey of 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is FCPZZFUOXGBYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c1-3-4-5-6-7-9-11(17)8-10(14)12(15)13(9,2)16/h8-9H,3-7,17H2,1-2H3.
What are the key properties of 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine?
3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 247.30 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 118588923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).