N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine

C13H16FN — CID 116532137

IUPACN-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
SMILESCCNC1CC2CCc3cc(F)cc1c32
InChIInChI=1S/C13H16FN/c1-2-15-12-6-9-4-3-8-5-10(14)7-11(12)13(8)9/h5,7,9,12,15H,2-4,6H2,1H3
InChIKeyAKRFFQUEGYRUSV-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.91
Rot. Bonds2

About N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine

N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine (PubChem CID 116532137) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine.

Molecular Properties

Compound NameN-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
PubChem CID116532137
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC NameN-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
SMILESCCNC1CC2CCc3cc(F)cc1c32
InChIInChI=1S/C13H16FN/c1-2-15-12-6-9-4-3-8-5-10(14)7-11(12)13(8)9/h5,7,9,12,15H,2-4,6H2,1H3
InChIKeyAKRFFQUEGYRUSV-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
CID 116532144
N-ethyl-7-fluoro-3,9-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 114350292
N-ethyl-6,8-difluoro-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288330
N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine
CID 62943336
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
CID 116532178
(1S)-5-fluoro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130739092
6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 62124896
N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710684
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine
CID 113319273

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine?
The IUPAC name of N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine (CID 116532137) is N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine.
What is the SMILES notation for N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine?
The canonical SMILES for N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine is CCNC1CC2CCc3cc(F)cc1c32.
What is the InChIKey of N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine?
The InChIKey is AKRFFQUEGYRUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-2-15-12-6-9-4-3-8-5-10(14)7-11(12)13(8)9/h5,7,9,12,15H,2-4,6H2,1H3.
What are the key properties of N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine?
N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine has a molecular weight of 205.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine is sourced from PubChem (CID 116532137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).