3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol

C8H16F3NO — CID 106146562

IUPAC3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCC(C)(CCO)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3-4-13)5-12-6-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyHMCKHKOVWBJQMD-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.55
Rot. Bonds5

About 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol

3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol (PubChem CID 106146562) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol
PubChem CID106146562
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCC(C)(CCO)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3-4-13)5-12-6-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyHMCKHKOVWBJQMD-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-4-(methylamino)butan-1-ol
CID 71757766
3,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61323948
4-(Ethylamino)butan-1-ol;1,1,1-trifluoroethane
CID 143016474
4-(Tert-butylamino)-3,3-difluorobutan-1-ol
CID 147517434
4-(Tert-butylamino)-2,2-difluorobutan-1-ol
CID 153299927
4-(Propan-2-ylamino)-2-(trifluoromethyl)butan-1-ol
CID 155618379
(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 156694086
(4-Ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol
CID 163379969
(1S)-4,4,4-trifluoro-3,3-dimethyl-1-(methylamino)butan-1-ol
CID 167079851
(3,3-Difluoro-4-methylpiperidin-4-yl)methanol;ethane
CID 170599366
N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724329
2,2-dimethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725136

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol (CID 106146562) is 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol is CC(C)(CCO)CNCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol?
The InChIKey is HMCKHKOVWBJQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3-4-13)5-12-6-8(9,10)11/h12-13H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol?
3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2,2,2-trifluoroethylamino)butan-1-ol is sourced from PubChem (CID 106146562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).