2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol

C8H15F4NO — CID 106292180

IUPAC2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol
SMILESCCC(C)(O)CNCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO/c1-3-7(2,14)4-13-5-8(11,12)6(9)10/h6,13-14H,3-5H2,1-2H3
InChIKeyKUYLUPMPMOCQSL-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.64
Rot. Bonds6

About 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol

2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol (PubChem CID 106292180) has the molecular formula C8H15F4NO and a molecular weight of 217.21 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol
PubChem CID106292180
Molecular FormulaC8H15F4NO
Molecular Weight217.21 g/mol
Exact Mass217.11
IUPAC Name2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol
SMILESCCC(C)(O)CNCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO/c1-3-7(2,14)4-13-5-8(11,12)6(9)10/h6,13-14H,3-5H2,1-2H3
InChIKeyKUYLUPMPMOCQSL-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-4-[(propan-2-yl)amino]-2-(trifluoromethyl)butan-2-ol
CID 71418338
1,1,1,3,3,3-Hexafluoro-2-[(methylamino)methyl]propan-2-ol
CID 12988237
1,1,1-Trifluoro-2-methyl-3-(methylamino)propan-2-ol
CID 18720359
2-Methyl-1-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60885066
1-(2,2-Difluoroethylamino)-2-methylpropan-2-ol
CID 65106287
1,1,1,3,3,3-Hexafluoro-2-(propylaminomethyl)propan-2-ol
CID 85798110
(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)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 143471626
1,1,1-Trifluoro-2-(methylaminomethyl)butan-2-ol
CID 145152561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol (CID 106292180) is 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol is CCC(C)(O)CNCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol?
The InChIKey is KUYLUPMPMOCQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4NO/c1-3-7(2,14)4-13-5-8(11,12)6(9)10/h6,13-14H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol?
2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol has a molecular weight of 217.21 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3,3-tetrafluoropropylamino)butan-2-ol is sourced from PubChem (CID 106292180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).