(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol

C8H13F6NO — CID 89019029

IUPAC(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
SMILESCC(C)N[C@@H](C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-4(2)15-5(3)6(16,7(9,10)11)8(12,13)14/h4-5,15-16H,1-3H3/t5-/m0/s1
InChIKeyWPZGMFSBSFUZOX-YFKPBYRVSA-N
MW253.19 g/mol
LogP2.23
Rot. Bonds3

About (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol

(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol (PubChem CID 89019029) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
PubChem CID89019029
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
SMILESCC(C)N[C@@H](C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-4(2)15-5(3)6(16,7(9,10)11)8(12,13)14/h4-5,15-16H,1-3H3/t5-/m0/s1
InChIKeyWPZGMFSBSFUZOX-YFKPBYRVSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol (CID 89019029) is (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol is CC(C)N[C@@H](C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol?
The InChIKey is WPZGMFSBSFUZOX-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-4(2)15-5(3)6(16,7(9,10)11)8(12,13)14/h4-5,15-16H,1-3H3/t5-/m0/s1.
What are the key properties of (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol?
(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol has a molecular weight of 253.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 89019029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).