1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol

C9H16F3NO — CID 67851644

IUPAC1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol
SMILESCCC(O)N1CC(C(F)(F)F)C[C@H]1C
InChIInChI=1S/C9H16F3NO/c1-3-8(14)13-5-7(4-6(13)2)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7?,8?/m1/s1
InChIKeyWRJFISRLKUZENK-JECWYVHBSA-N
MW211.23 g/mol
LogP1.99
Rot. Bonds2

About 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol

1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 67851644) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID67851644
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol
SMILESCCC(O)N1CC(C(F)(F)F)C[C@H]1C
InChIInChI=1S/C9H16F3NO/c1-3-8(14)13-5-7(4-6(13)2)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7?,8?/m1/s1
InChIKeyWRJFISRLKUZENK-JECWYVHBSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol (CID 67851644) is 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol is CCC(O)N1CC(C(F)(F)F)C[C@H]1C.
What is the InChIKey of 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is WRJFISRLKUZENK-JECWYVHBSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-8(14)13-5-7(4-6(13)2)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7?,8?/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol?
1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 67851644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).