(3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine

C5H9F3N2O — CID 175817914

IUPAC(3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1OC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c6-5(7,8)11-4-2-10-1-3(4)9/h3-4,10H,1-2,9H2/t3-,4+/m0/s1
InChIKeyICJRQMXJOAAVLA-IUYQGCFVSA-N
MW170.13 g/mol
LogP-0.18
Rot. Bonds1

About (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine

(3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine (PubChem CID 175817914) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine
PubChem CID175817914
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name(3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine
SMILESN[C@H]1CNC[C@H]1OC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c6-5(7,8)11-4-2-10-1-3(4)9/h3-4,10H,1-2,9H2/t3-,4+/m0/s1
InChIKeyICJRQMXJOAAVLA-IUYQGCFVSA-N
XLogP-0.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 75531171
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CID 97300413
CID 97300413
CID 97300414
CID 97300414
CID 117588017
CID 117588017
CID 117588051
CID 117588051
CID 55300576
CID 55300576
CID 5232365
CID 5232365
CID 14457269
CID 14457269
CID 15023849
CID 15023849
CID 18985345
CID 18985345
CID 18985363
CID 18985363

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine (CID 175817914) is (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine is N[C@H]1CNC[C@H]1OC(F)(F)F.
What is the InChIKey of (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine?
The InChIKey is ICJRQMXJOAAVLA-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9F3N2O/c6-5(7,8)11-4-2-10-1-3(4)9/h3-4,10H,1-2,9H2/t3-,4+/m0/s1.
What are the key properties of (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine?
(3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine has a molecular weight of 170.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(trifluoromethoxy)pyrrolidin-3-amine is sourced from PubChem (CID 175817914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).