(2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol

C9H18F3NO — CID 103788124

IUPAC(2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
SMILESCC(CC(F)(F)F)N[C@H](CO)C(C)C
InChIInChI=1S/C9H18F3NO/c1-6(2)8(5-14)13-7(3)4-9(10,11)12/h6-8,13-14H,4-5H2,1-3H3/t7?,8-/m1/s1
InChIKeyLUNOMRUHESLMLI-BRFYHDHCSA-N
MW213.24 g/mol
LogP1.93
Rot. Bonds5

About (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol

(2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol (PubChem CID 103788124) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
PubChem CID103788124
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name(2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
SMILESCC(CC(F)(F)F)N[C@H](CO)C(C)C
InChIInChI=1S/C9H18F3NO/c1-6(2)8(5-14)13-7(3)4-9(10,11)12/h6-8,13-14H,4-5H2,1-3H3/t7?,8-/m1/s1
InChIKeyLUNOMRUHESLMLI-BRFYHDHCSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol (CID 103788124) is (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol is CC(CC(F)(F)F)N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol?
The InChIKey is LUNOMRUHESLMLI-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-6(2)8(5-14)13-7(3)4-9(10,11)12/h6-8,13-14H,4-5H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol?
(2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol has a molecular weight of 213.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol is sourced from PubChem (CID 103788124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).