N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine

C11H19F2NO — CID 103081284

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine
SMILESFC(F)COCCNCC1CC=CCC1
InChIInChI=1S/C11H19F2NO/c12-11(13)9-15-7-6-14-8-10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2
InChIKeyLWFIDMMKUGBBKO-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.21
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine (PubChem CID 103081284) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine
PubChem CID103081284
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine
SMILESFC(F)COCCNCC1CC=CCC1
InChIInChI=1S/C11H19F2NO/c12-11(13)9-15-7-6-14-8-10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2
InChIKeyLWFIDMMKUGBBKO-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine (CID 103081284) is N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine is FC(F)COCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine?
The InChIKey is LWFIDMMKUGBBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c12-11(13)9-15-7-6-14-8-10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine has a molecular weight of 219.27 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine is sourced from PubChem (CID 103081284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).