(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine

C6H10F3NO — CID 164536315

IUPAC(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine
SMILESN[C@@H](COC1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(10)3-11-4-1-2-4/h4-5H,1-3,10H2/t5-/m0/s1
InChIKeyJDYKQUJRAHRCIA-YFKPBYRVSA-N
MW169.15 g/mol
LogP1.05
Rot. Bonds3

About (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine

(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine (PubChem CID 164536315) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine
PubChem CID164536315
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine
SMILESN[C@@H](COC1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(10)3-11-4-1-2-4/h4-5H,1-3,10H2/t5-/m0/s1
InChIKeyJDYKQUJRAHRCIA-YFKPBYRVSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine?
The IUPAC name of (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine (CID 164536315) is (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine is N[C@@H](COC1CC1)C(F)(F)F.
What is the InChIKey of (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine?
The InChIKey is JDYKQUJRAHRCIA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5(10)3-11-4-1-2-4/h4-5H,1-3,10H2/t5-/m0/s1.
What are the key properties of (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine?
(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine has a molecular weight of 169.15 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 164536315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).