(2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol

C7H14F3NO — CID 10058229

IUPAC(2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC)C[C@H](O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-11(4-2)5-6(12)7(8,9)10/h6,12H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyREEIQERJJYGQFJ-LURJTMIESA-N
MW185.19 g/mol
LogP1.25
Rot. Bonds4

About (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol

(2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 10058229) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID10058229
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name(2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC)C[C@H](O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-11(4-2)5-6(12)7(8,9)10/h6,12H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyREEIQERJJYGQFJ-LURJTMIESA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol (CID 10058229) is (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol is CCN(CC)C[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is REEIQERJJYGQFJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14F3NO/c1-3-11(4-2)5-6(12)7(8,9)10/h6,12H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(diethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 10058229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).