1-amino-2-(3,5-difluorophenyl)undecan-3-ol

C17H27F2NO — CID 65427983

IUPAC1-amino-2-(3,5-difluorophenyl)undecan-3-ol
SMILESCCCCCCCCC(O)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C17H27F2NO/c1-2-3-4-5-6-7-8-17(21)16(12-20)13-9-14(18)11-15(19)10-13/h9-11,16-17,21H,2-8,12,20H2,1H3
InChIKeyBYACADHLQFEJRS-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.12
Rot. Bonds10

About 1-amino-2-(3,5-difluorophenyl)undecan-3-ol

1-amino-2-(3,5-difluorophenyl)undecan-3-ol (PubChem CID 65427983) has the molecular formula C17H27F2NO and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-amino-2-(3,5-difluorophenyl)undecan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3,5-difluorophenyl)undecan-3-ol
PubChem CID65427983
Molecular FormulaC17H27F2NO
Molecular Weight299.40 g/mol
Exact Mass299.21
IUPAC Name1-amino-2-(3,5-difluorophenyl)undecan-3-ol
SMILESCCCCCCCCC(O)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C17H27F2NO/c1-2-3-4-5-6-7-8-17(21)16(12-20)13-9-14(18)11-15(19)10-13/h9-11,16-17,21H,2-8,12,20H2,1H3
InChIKeyBYACADHLQFEJRS-UHFFFAOYSA-N
XLogP4.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 65428170
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1-amino-2-(3-fluorophenyl)hexan-3-ol
CID 65190033
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
1-amino-2-(3,5-difluorophenyl)-4,4-dimethylhexan-3-ol
CID 65189332
1-amino-2-(2,6-dichlorophenyl)nonan-3-ol
CID 114754167
1-(3,5-difluorophenyl)hexylhydrazine
CID 105207948
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
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CID 65189712

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3,5-difluorophenyl)undecan-3-ol?
The IUPAC name of 1-amino-2-(3,5-difluorophenyl)undecan-3-ol (CID 65427983) is 1-amino-2-(3,5-difluorophenyl)undecan-3-ol.
What is the SMILES notation for 1-amino-2-(3,5-difluorophenyl)undecan-3-ol?
The canonical SMILES for 1-amino-2-(3,5-difluorophenyl)undecan-3-ol is CCCCCCCCC(O)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 1-amino-2-(3,5-difluorophenyl)undecan-3-ol?
The InChIKey is BYACADHLQFEJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-2-3-4-5-6-7-8-17(21)16(12-20)13-9-14(18)11-15(19)10-13/h9-11,16-17,21H,2-8,12,20H2,1H3.
What are the key properties of 1-amino-2-(3,5-difluorophenyl)undecan-3-ol?
1-amino-2-(3,5-difluorophenyl)undecan-3-ol has a molecular weight of 299.40 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3,5-difluorophenyl)undecan-3-ol is sourced from PubChem (CID 65427983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).