(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C12H14F3NO — CID 142478102

IUPAC(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCc1cc(N2CC[C@@H](O)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-8-4-9(12(13,14)15)6-10(5-8)16-3-2-11(17)7-16/h4-6,11,17H,2-3,7H2,1H3/t11-/m1/s1
InChIKeyRDRKIRQYGSMEAO-LLVKDONJSA-N
MW245.24 g/mol
LogP2.58
Rot. Bonds1

About (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 142478102) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID142478102
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCc1cc(N2CC[C@@H](O)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-8-4-9(12(13,14)15)6-10(5-8)16-3-2-11(17)7-16/h4-6,11,17H,2-3,7H2,1H3/t11-/m1/s1
InChIKeyRDRKIRQYGSMEAO-LLVKDONJSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 142478102) is (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol is Cc1cc(N2CC[C@@H](O)C2)cc(C(F)(F)F)c1.
What is the InChIKey of (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is RDRKIRQYGSMEAO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8-4-9(12(13,14)15)6-10(5-8)16-3-2-11(17)7-16/h4-6,11,17H,2-3,7H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 245.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 142478102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).