3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol

C7H14F3NO — CID 83817418

IUPAC3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol
SMILESCC(C)CNC(CO)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)3-11-6(4-12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyXOUCUFFFIOLCKR-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.16
Rot. Bonds4

About 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol

3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol (PubChem CID 83817418) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol
PubChem CID83817418
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol
SMILESCC(C)CNC(CO)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)3-11-6(4-12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyXOUCUFFFIOLCKR-UHFFFAOYSA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2-[(2,2,2-Trifluoroethyl)amino]butan-1-ol
CID 43499784
2-(Propylamino)-1-propanol
CID 15560810
1,1,1-Trifluoro-3-[(propan-2-yl)amino]propan-2-ol
CID 19417382
2-Methyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 43499804
2-[(1,1-Difluoro-2-methylpropan-2-yl)amino]ethan-1-ol
CID 53764457
3-(Tert-butylamino)-1,1,1-trifluoropropan-2-ol
CID 57957354
2-((3,3,3-Trifluoropropyl)amino)ethanol
CID 60684367
2-(2,2-Difluoroethylamino)-2-methylpropan-1-ol
CID 60922930
3,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61323948
1,1,1-Trifluoro-3-[(2-methylpropyl)amino]propan-2-ol
CID 61529835
1,1-Difluoro-3-(propan-2-ylamino)propan-2-ol
CID 80604363

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol (CID 83817418) is 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol is CC(C)CNC(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol?
The InChIKey is XOUCUFFFIOLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(2)3-11-6(4-12)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol?
3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol has a molecular weight of 185.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-methylpropylamino)propan-1-ol is sourced from PubChem (CID 83817418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).