2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol

C14H29F2NO3 — CID 106175962

IUPAC2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
SMILESCCCCCCCCOCC(O)CNCC(F)(F)CO
InChIInChI=1S/C14H29F2NO3/c1-2-3-4-5-6-7-8-20-10-13(19)9-17-11-14(15,16)12-18/h13,17-19H,2-12H2,1H3
InChIKeyAKILZVLSGFHXER-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.94
Rot. Bonds14

About 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol

2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol (PubChem CID 106175962) has the molecular formula C14H29F2NO3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
PubChem CID106175962
Molecular FormulaC14H29F2NO3
Molecular Weight297.39 g/mol
Exact Mass297.21
IUPAC Name2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
SMILESCCCCCCCCOCC(O)CNCC(F)(F)CO
InChIInChI=1S/C14H29F2NO3/c1-2-3-4-5-6-7-8-20-10-13(19)9-17-11-14(15,16)12-18/h13,17-19H,2-12H2,1H3
InChIKeyAKILZVLSGFHXER-UHFFFAOYSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
CID 106255999
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
2-[(3-heptadecoxy-2-hydroxypropyl)amino]-2-methylpropane-1,3-diol
CID 59593571
1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176261
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol (CID 106175962) is 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol is CCCCCCCCOCC(O)CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol?
The InChIKey is AKILZVLSGFHXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2NO3/c1-2-3-4-5-6-7-8-20-10-13(19)9-17-11-14(15,16)12-18/h13,17-19H,2-12H2,1H3.
What are the key properties of 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol?
2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol has a molecular weight of 297.39 g/mol, XLogP of 1.94, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol is sourced from PubChem (CID 106175962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).