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

C7H15F2NO2 — CID 106176034

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
SMILESCC(O)C(C)NCC(F)(F)CO
InChIInChI=1S/C7H15F2NO2/c1-5(6(2)12)10-3-7(8,9)4-11/h5-6,10-12H,3-4H2,1-2H3
InChIKeyCWHMNFZOBHXXLG-UHFFFAOYSA-N
MW183.20 g/mol
LogP-0.03
Rot. Bonds5

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

3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol (PubChem CID 106176034) has the molecular formula C7H15F2NO2 and a molecular weight of 183.20 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
PubChem CID106176034
Molecular FormulaC7H15F2NO2
Molecular Weight183.20 g/mol
Exact Mass183.11
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
SMILESCC(O)C(C)NCC(F)(F)CO
InChIInChI=1S/C7H15F2NO2/c1-5(6(2)12)10-3-7(8,9)4-11/h5-6,10-12H,3-4H2,1-2H3
InChIKeyCWHMNFZOBHXXLG-UHFFFAOYSA-N
XLogP-0.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

3-Isopropylamino-1,2-propanediol
CID 110857
1,1,1-Trifluoro-3-[(3-methoxypropyl)amino]-2-propanol
CID 2768007
2-((2-Hydroxypropyl)amino)propan-1-ol
CID 9833968
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232
4,4,4-Trifluoro-1-(methylamino)butan-2-ol
CID 57512865
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
3-Isopropylamino-1,2-propanediol, (+)-
CID 7019746
3-Isopropylamino-1,2-propanediol, (-)-
CID 7019748
2-[(2,2,2-Trifluoroethyl)amino]butan-1-ol
CID 43499784
(2S)-3-[(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 63226873
3-(Cyclopropylamino)-1,1,1-trifluoropropan-2-ol
CID 63899819
(2S)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol hydrochloride
CID 165997674

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol (CID 106176034) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol is CC(O)C(C)NCC(F)(F)CO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol?
The InChIKey is CWHMNFZOBHXXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2/c1-5(6(2)12)10-3-7(8,9)4-11/h5-6,10-12H,3-4H2,1-2H3.
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol?
3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol has a molecular weight of 183.20 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol is sourced from PubChem (CID 106176034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).