(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol

C5H10F3NO — CID 96691737

IUPAC(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCNC[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-9-3-4(10)5(6,7)8/h4,9-10H,2-3H2,1H3/t4-/m1/s1
InChIKeyJMZHIEFIHACQKS-SCSAIBSYSA-N
MW157.13 g/mol
LogP0.52
Rot. Bonds3

About (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol

(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 96691737) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID96691737
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCNC[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-9-3-4(10)5(6,7)8/h4,9-10H,2-3H2,1H3/t4-/m1/s1
InChIKeyJMZHIEFIHACQKS-SCSAIBSYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol (CID 96691737) is (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol is CCNC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is JMZHIEFIHACQKS-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-9-3-4(10)5(6,7)8/h4,9-10H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol?
(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 157.13 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 96691737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).