1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol

C8H13F6NO — CID 71418338

IUPAC1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
SMILESCC(C)NCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-5(2)15-4-3-6(16,7(9,10)11)8(12,13)14/h5,15-16H,3-4H2,1-2H3
InChIKeyBRNGQCFHUVBMTF-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.23
Rot. Bonds4

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

1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol (PubChem CID 71418338) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
PubChem CID71418338
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
SMILESCC(C)NCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-5(2)15-4-3-6(16,7(9,10)11)8(12,13)14/h5,15-16H,3-4H2,1-2H3
InChIKeyBRNGQCFHUVBMTF-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-2-methyl-4-(methylamino)butan-2-ol
CID 80559452
(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
1,1,1-Trifluoro-4-(methylamino)-2-(trifluoromethyl)pentan-2-ol
CID 101772932
1,1,1-Trifluoro-2-methyl-4-(methylamino)pentan-2-ol
CID 117736611
(3R)-4-(tert-butylamino)-3-fluoro-2-methylbutan-2-ol
CID 117797864
3-(Tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134166297
3-(Methylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134367353
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 143471626
1,1,1-Trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol
CID 155122296

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol (CID 71418338) is 1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol is CC(C)NCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol?
The InChIKey is BRNGQCFHUVBMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-5(2)15-4-3-6(16,7(9,10)11)8(12,13)14/h5,15-16H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol?
1,1,1-trifluoro-4-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol has a molecular weight of 253.19 g/mol, XLogP of 2.23, 4 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-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 71418338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).