2,2-difluoro-3-(pentylamino)propan-1-ol

C8H17F2NO — CID 106172944

IUPAC2,2-difluoro-3-(pentylamino)propan-1-ol
SMILESCCCCCNCC(F)(F)CO
InChIInChI=1S/C8H17F2NO/c1-2-3-4-5-11-6-8(9,10)7-12/h11-12H,2-7H2,1H3
InChIKeyZUMGXXNSUQIUCL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds7

About 2,2-difluoro-3-(pentylamino)propan-1-ol

2,2-difluoro-3-(pentylamino)propan-1-ol (PubChem CID 106172944) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,2-difluoro-3-(pentylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(pentylamino)propan-1-ol
PubChem CID106172944
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name2,2-difluoro-3-(pentylamino)propan-1-ol
SMILESCCCCCNCC(F)(F)CO
InChIInChI=1S/C8H17F2NO/c1-2-3-4-5-11-6-8(9,10)7-12/h11-12H,2-7H2,1H3
InChIKeyZUMGXXNSUQIUCL-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
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

N-(2,2-difluorobutyl)dodecan-1-amine
CID 159120167
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
CID 106178221
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591
2,2-difluoro-3-(undecan-6-ylamino)propan-1-ol
CID 106173035
butyl 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetate
CID 106175952
2-methyl-1-(octylamino)propan-2-ol
CID 65103945
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
2,2-difluorododecan-1-ol
CID 86222269

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(pentylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(pentylamino)propan-1-ol (CID 106172944) is 2,2-difluoro-3-(pentylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(pentylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(pentylamino)propan-1-ol is CCCCCNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(pentylamino)propan-1-ol?
The InChIKey is ZUMGXXNSUQIUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-2-3-4-5-11-6-8(9,10)7-12/h11-12H,2-7H2,1H3.
What are the key properties of 2,2-difluoro-3-(pentylamino)propan-1-ol?
2,2-difluoro-3-(pentylamino)propan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(pentylamino)propan-1-ol is sourced from PubChem (CID 106172944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).