6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine

C13H20F5N — CID 129016724

IUPAC6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
SMILESCCC1CC(C(F)([C@@H](C)F)C(F)(F)F)=CC(C)C1N
InChIInChI=1S/C13H20F5N/c1-4-9-6-10(5-7(2)11(9)19)12(15,8(3)14)13(16,17)18/h5,7-9,11H,4,6,19H2,1-3H3/t7?,8-,9?,11?,12?/m1/s1
InChIKeyGMEOLPVINJGODJ-WDLWRVTFSA-N
MW285.30 g/mol
LogP3.93
Rot. Bonds3

About 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine

6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine (PubChem CID 129016724) has the molecular formula C13H20F5N and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
PubChem CID129016724
Molecular FormulaC13H20F5N
Molecular Weight285.30 g/mol
Exact Mass285.15
IUPAC Name6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
SMILESCCC1CC(C(F)([C@@H](C)F)C(F)(F)F)=CC(C)C1N
InChIInChI=1S/C13H20F5N/c1-4-9-6-10(5-7(2)11(9)19)12(15,8(3)14)13(16,17)18/h5,7-9,11H,4,6,19H2,1-3H3/t7?,8-,9?,11?,12?/m1/s1
InChIKeyGMEOLPVINJGODJ-WDLWRVTFSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine?
The IUPAC name of 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine (CID 129016724) is 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine.
What is the SMILES notation for 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine?
The canonical SMILES for 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine is CCC1CC(C(F)([C@@H](C)F)C(F)(F)F)=CC(C)C1N.
What is the InChIKey of 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine?
The InChIKey is GMEOLPVINJGODJ-WDLWRVTFSA-N. The full InChI is InChI=1S/C13H20F5N/c1-4-9-6-10(5-7(2)11(9)19)12(15,8(3)14)13(16,17)18/h5,7-9,11H,4,6,19H2,1-3H3/t7?,8-,9?,11?,12?/m1/s1.
What are the key properties of 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine?
6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine has a molecular weight of 285.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 129016724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).