[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol

C8H14F3NO — CID 79003092

IUPAC[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-5-12-4-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1
InChIKeyXGVBSDAKXCAFDB-ZETCQYMHSA-N
MW197.20 g/mol
LogP1.40
Rot. Bonds3

About [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol

[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol (PubChem CID 79003092) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol
PubChem CID79003092
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-5-12-4-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1
InChIKeyXGVBSDAKXCAFDB-ZETCQYMHSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol (CID 79003092) is [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CCC(F)(F)F.
What is the InChIKey of [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol?
The InChIKey is XGVBSDAKXCAFDB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)3-5-12-4-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1.
What are the key properties of [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol has a molecular weight of 197.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79003092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).