3-[2,2-difluoroethyl(methyl)amino]butan-2-ol

C7H15F2NO — CID 115868925

IUPAC3-[2,2-difluoroethyl(methyl)amino]butan-2-ol
SMILESCC(O)C(C)N(C)CC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(6(2)11)10(3)4-7(8)9/h5-7,11H,4H2,1-3H3
InChIKeyHSUNMOAULMINIF-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.95
Rot. Bonds4

About 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol

3-[2,2-difluoroethyl(methyl)amino]butan-2-ol (PubChem CID 115868925) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]butan-2-ol
PubChem CID115868925
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]butan-2-ol
SMILESCC(O)C(C)N(C)CC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(6(2)11)10(3)4-7(8)9/h5-7,11H,4H2,1-3H3
InChIKeyHSUNMOAULMINIF-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol
CID 63698741
3-[cyclobutylmethyl(methyl)amino]butan-2-ol
CID 62861360
3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine
CID 63223427
5-[1-[2,2-difluoroethyl(methyl)amino]ethyl]benzene-1,3-diol
CID 107708200
N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
CID 115773225
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
2,2-difluoro-N-methyl-N-oxidoethanamine
CID 126664092
3-[methyl(propan-2-yl)amino]butan-2-ol
CID 58823788
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol
CID 142605700
1-chloroethanol;N,N-dimethylmethanamine
CID 87179107

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol (CID 115868925) is 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol is CC(O)C(C)N(C)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol?
The InChIKey is HSUNMOAULMINIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-5(6(2)11)10(3)4-7(8)9/h5-7,11H,4H2,1-3H3.
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol?
3-[2,2-difluoroethyl(methyl)amino]butan-2-ol has a molecular weight of 167.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 115868925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).