1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol

C7H15F2NO2 — CID 106176261

IUPAC1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
SMILESCCC(O)CNCC(F)(F)CO
InChIInChI=1S/C7H15F2NO2/c1-2-6(12)3-10-4-7(8,9)5-11/h6,10-12H,2-5H2,1H3
InChIKeyOTCLAGPKJASXGN-UHFFFAOYSA-N
MW183.20 g/mol
LogP-0.03
Rot. Bonds6

About 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol

1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol (PubChem CID 106176261) has the molecular formula C7H15F2NO2 and a molecular weight of 183.20 g/mol. Its IUPAC name is 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
PubChem CID106176261
Molecular FormulaC7H15F2NO2
Molecular Weight183.20 g/mol
Exact Mass183.11
IUPAC Name1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
SMILESCCC(O)CNCC(F)(F)CO
InChIInChI=1S/C7H15F2NO2/c1-2-6(12)3-10-4-7(8,9)5-11/h6,10-12H,2-5H2,1H3
InChIKeyOTCLAGPKJASXGN-UHFFFAOYSA-N
XLogP-0.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-difluoro-3-hydroxypropyl)amino]-3-hydroxybutanoic acid
CID 106178195
3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol
CID 106176446
2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
CID 106175962
3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol
CID 106172834
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089
1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 63226283
3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2,2-difluoropropan-1-ol
CID 106176538
2,2-difluoro-3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propan-1-ol
CID 106176703
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218
2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol
CID 106176036

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol?
The IUPAC name of 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol (CID 106176261) is 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol.
What is the SMILES notation for 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol?
The canonical SMILES for 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol is CCC(O)CNCC(F)(F)CO.
What is the InChIKey of 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol?
The InChIKey is OTCLAGPKJASXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2/c1-2-6(12)3-10-4-7(8,9)5-11/h6,10-12H,2-5H2,1H3.
What are the key properties of 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol?
1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol has a molecular weight of 183.20 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol is sourced from PubChem (CID 106176261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).