1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol

C10H18F3NO — CID 83981037

IUPAC1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol
SMILESCCCN1CCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-3-5-14-6-4-8(7-14)9(2,15)10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyWRUGYZSUIGHAEU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds3

About 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol

1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol (PubChem CID 83981037) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol
PubChem CID83981037
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol
SMILESCCCN1CCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-3-5-14-6-4-8(7-14)9(2,15)10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyWRUGYZSUIGHAEU-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol (CID 83981037) is 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol is CCCN1CCC(C(C)(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol?
The InChIKey is WRUGYZSUIGHAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-5-14-6-4-8(7-14)9(2,15)10(11,12)13/h8,15H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol?
1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1-propylpyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 83981037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).