3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol

C11H17F2NO — CID 103745513

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNCC1CC2C=CC1C2)C(F)F
InChIInChI=1S/C11H17F2NO/c12-11(13)10(15)6-14-5-9-4-7-1-2-8(9)3-7/h1-2,7-11,14-15H,3-6H2
InChIKeyQJFJARFDIXXZCP-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.41
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol

3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol (PubChem CID 103745513) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol
PubChem CID103745513
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNCC1CC2C=CC1C2)C(F)F
InChIInChI=1S/C11H17F2NO/c12-11(13)10(15)6-14-5-9-4-7-1-2-8(9)3-7/h1-2,7-11,14-15H,3-6H2
InChIKeyQJFJARFDIXXZCP-UHFFFAOYSA-N
XLogP1.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-amino]-ethanol
CID 3154449
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733441
3-(Cyclohex-3-en-1-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 61529834
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2,2-difluoroethoxy)ethanamine
CID 103081243
3-(Cyclohex-3-en-1-ylmethylamino)-1,1-difluoropropan-2-ol
CID 103838452
3-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)-2,2-difluoropropan-1-ol
CID 104857455
3-(6-Bicyclo[3.2.0]hept-3-enylamino)-1,1,1-trifluoropropan-2-ol
CID 105643447
3-[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 105643449
3-(6-Bicyclo[3.2.0]hept-3-enylamino)-1,1-difluoropropan-2-ol
CID 105644250
3-[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]-1,1-difluoropropan-2-ol
CID 105644253
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105644482
3-[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]-2,2-difluoropropan-1-ol
CID 106172948

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol (CID 103745513) is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol is OC(CNCC1CC2C=CC1C2)C(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol?
The InChIKey is QJFJARFDIXXZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c12-11(13)10(15)6-14-5-9-4-7-1-2-8(9)3-7/h1-2,7-11,14-15H,3-6H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol?
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol has a molecular weight of 217.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103745513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).