1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol

C6H9F6NO — CID 155122296

IUPAC1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol
SMILESCNCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c1-13-3-2-4(14,5(7,8)9)6(10,11)12/h13-14H,2-3H2,1H3
InChIKeyQSEMHXCINKBNES-UHFFFAOYSA-N
MW225.13 g/mol
LogP1.45
Rot. Bonds3

About 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol

1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol (PubChem CID 155122296) has the molecular formula C6H9F6NO and a molecular weight of 225.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol
PubChem CID155122296
Molecular FormulaC6H9F6NO
Molecular Weight225.13 g/mol
Exact Mass225.06
IUPAC Name1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol
SMILESCNCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c1-13-3-2-4(14,5(7,8)9)6(10,11)12/h13-14H,2-3H2,1H3
InChIKeyQSEMHXCINKBNES-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol (CID 155122296) is 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol is CNCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol?
The InChIKey is QSEMHXCINKBNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NO/c1-13-3-2-4(14,5(7,8)9)6(10,11)12/h13-14H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol?
1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol has a molecular weight of 225.13 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 155122296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).