2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine

C18H18F3N — CID 83985097

IUPAC2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine
SMILESFC(F)(F)CNCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H18F3N/c19-18(20,21)12-22-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,17,22H,9-12H2
InChIKeySTEGIZBQPAFJDZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.07
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine

2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine (PubChem CID 83985097) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine
PubChem CID83985097
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine
SMILESFC(F)(F)CNCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H18F3N/c19-18(20,21)12-22-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,17,22H,9-12H2
InChIKeySTEGIZBQPAFJDZ-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine
CID 83985096
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932004
1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene
CID 147654820
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
CID 7009453
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60702700
3-[(2,2,2-trifluoroethylamino)methyl]-3H-2-benzofuran-1-one
CID 70876040
N-[[(2S)-5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]formamide
CID 129384381
4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide
CID 21402974
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,2,2-trifluoroethanamine
CID 54892953
N-[(5,6-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]formamide
CID 13472768

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine (CID 83985097) is 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine is FC(F)(F)CNCC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine?
The InChIKey is STEGIZBQPAFJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c19-18(20,21)12-22-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,17,22H,9-12H2.
What are the key properties of 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine?
2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine has a molecular weight of 305.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine is sourced from PubChem (CID 83985097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).