2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol

C10H17F2NO — CID 149384524

IUPAC2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol
SMILESCC(N)C1C=CCC(C(F)(F)CO)C1
InChIInChI=1S/C10H17F2NO/c1-7(13)8-3-2-4-9(5-8)10(11,12)6-14/h2-3,7-9,14H,4-6,13H2,1H3
InChIKeyYMHWNXOIEDTXGI-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.54
Rot. Bonds3

About 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol

2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol (PubChem CID 149384524) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol.

Molecular Properties

Compound Name2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol
PubChem CID149384524
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol
SMILESCC(N)C1C=CCC(C(F)(F)CO)C1
InChIInChI=1S/C10H17F2NO/c1-7(13)8-3-2-4-9(5-8)10(11,12)6-14/h2-3,7-9,14H,4-6,13H2,1H3
InChIKeyYMHWNXOIEDTXGI-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol?
The IUPAC name of 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol (CID 149384524) is 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol.
What is the SMILES notation for 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol?
The canonical SMILES for 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol is CC(N)C1C=CCC(C(F)(F)CO)C1.
What is the InChIKey of 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol?
The InChIKey is YMHWNXOIEDTXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7(13)8-3-2-4-9(5-8)10(11,12)6-14/h2-3,7-9,14H,4-6,13H2,1H3.
What are the key properties of 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol?
2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol has a molecular weight of 205.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-aminoethyl)cyclohex-3-en-1-yl]-2,2-difluoroethanol is sourced from PubChem (CID 149384524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).