2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol

C9H18F3NO — CID 103993563

IUPAC2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2,8(3,4)14)13-6-5-9(10,11)12/h13-14H,5-6H2,1-4H3
InChIKeyUMMIGPBCDFKSKS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.08
Rot. Bonds4

About 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol

2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol (PubChem CID 103993563) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol
PubChem CID103993563
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2,8(3,4)14)13-6-5-9(10,11)12/h13-14H,5-6H2,1-4H3
InChIKeyUMMIGPBCDFKSKS-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974920
(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 89019029
2-[(tert-Butylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 12988232
2,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 62487591
1,1,1-Trifluoro-3-(2-methylbutan-2-ylamino)propan-2-ol
CID 63901874
2-Methyl-2-(3,3,3-trifluoropropylamino)butan-1-ol
CID 64553552
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
3-[(2,2-Difluoroethylamino)methyl]pentan-3-ol
CID 65111387
1-(2,2-Difluoroethylamino)-2-methylbutan-2-ol
CID 65111524
2-Methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol
CID 65332779

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol (CID 103993563) is 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol is CC(C)(O)C(C)(C)NCCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol?
The InChIKey is UMMIGPBCDFKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2,8(3,4)14)13-6-5-9(10,11)12/h13-14H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol?
2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(3,3,3-trifluoropropylamino)butan-2-ol is sourced from PubChem (CID 103993563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).