(3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol

C6H10F3NO — CID 139346056

IUPAC(3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESCN1C[C@@H](O)[C@H](C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c1-10-2-4(5(11)3-10)6(7,8)9/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyAXDIAUAANCGFBU-RFZPGFLSSA-N
MW169.15 g/mol
LogP0.47
Rot. Bonds

About (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol

(3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 139346056) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID139346056
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESCN1C[C@@H](O)[C@H](C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c1-10-2-4(5(11)3-10)6(7,8)9/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyAXDIAUAANCGFBU-RFZPGFLSSA-N
XLogP0.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol (CID 139346056) is (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol is CN1C[C@@H](O)[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is AXDIAUAANCGFBU-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-2-4(5(11)3-10)6(7,8)9/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol?
(3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 169.15 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 139346056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).