2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol

C10H20F3NO — CID 103783163

IUPAC2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
SMILESCC(CC(F)(F)F)NCC(C)(O)C(C)C
InChIInChI=1S/C10H20F3NO/c1-7(2)9(4,15)6-14-8(3)5-10(11,12)13/h7-8,14-15H,5-6H2,1-4H3
InChIKeySMMIORRSMPYHPH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.32
Rot. Bonds5

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

2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol (PubChem CID 103783163) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
PubChem CID103783163
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
SMILESCC(CC(F)(F)F)NCC(C)(O)C(C)C
InChIInChI=1S/C10H20F3NO/c1-7(2)9(4,15)6-14-8(3)5-10(11,12)13/h7-8,14-15H,5-6H2,1-4H3
InChIKeySMMIORRSMPYHPH-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-4-[(propan-2-yl)amino]-2-(trifluoromethyl)butan-2-ol
CID 71418338
(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459016
(3S)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459432
(3S)-1,1,1-trifluoro-3-(methylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974881
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974920
(3R)-1,1,1-trifluoro-3-(methylamino)-2-(trifluoromethyl)butan-2-ol
CID 89018951
(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 89019029
(3R)-3-fluoro-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 157783214
2-(Difluoromethyl)-3-methylazetidin-3-ol
CID 178087797
3-[(3,3,3-Trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
2-Methyl-1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 65111139
3-[(2,2,2-Trifluoroethylamino)methyl]pentan-3-ol
CID 65111281

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol (CID 103783163) is 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol is CC(CC(F)(F)F)NCC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol?
The InChIKey is SMMIORRSMPYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-7(2)9(4,15)6-14-8(3)5-10(11,12)13/h7-8,14-15H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol?
2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol has a molecular weight of 227.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol is sourced from PubChem (CID 103783163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).