(3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine

C6H10F3NO — CID 169250892

IUPAC(3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine
SMILESCO[C@@H]1CNC[C@@H]1C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-11-5-3-10-2-4(5)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyWBNVICFIGURKLD-CRCLSJGQSA-N
MW169.15 g/mol
LogP0.78
Rot. Bonds1

About (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine

(3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine (PubChem CID 169250892) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine
PubChem CID169250892
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine
SMILESCO[C@@H]1CNC[C@@H]1C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-11-5-3-10-2-4(5)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyWBNVICFIGURKLD-CRCLSJGQSA-N
XLogP0.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117588051
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CID 119053418
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CID 126809407
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CID 167737539
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CID 55300576
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CID 53409223

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine (CID 169250892) is (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine is CO[C@@H]1CNC[C@@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine?
The InChIKey is WBNVICFIGURKLD-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-11-5-3-10-2-4(5)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine?
(3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine has a molecular weight of 169.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methoxy-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 169250892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).