(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine

C8H14F3NO — CID 166889514

IUPAC(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESC[C@H](C(N)F)C(F)(F)C1CCCO1
InChIInChI=1S/C8H14F3NO/c1-5(7(9)12)8(10,11)6-3-2-4-13-6/h5-7H,2-4,12H2,1H3/t5-,6?,7?/m1/s1
InChIKeyXGMKCOQMBLNPKI-GRQBKTHUSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds3

About (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine

(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 166889514) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID166889514
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESC[C@H](C(N)F)C(F)(F)C1CCCO1
InChIInChI=1S/C8H14F3NO/c1-5(7(9)12)8(10,11)6-3-2-4-13-6/h5-7H,2-4,12H2,1H3/t5-,6?,7?/m1/s1
InChIKeyXGMKCOQMBLNPKI-GRQBKTHUSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine (CID 166889514) is (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine is C[C@H](C(N)F)C(F)(F)C1CCCO1.
What is the InChIKey of (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is XGMKCOQMBLNPKI-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(7(9)12)8(10,11)6-3-2-4-13-6/h5-7H,2-4,12H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine?
(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 166889514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).