1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol

C13H16F3NO — CID 112627963

IUPAC1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3NO/c1-9(18)10-6-7-17(8-10)12-4-2-11(3-5-12)13(14,15)16/h2-5,9-10,18H,6-8H2,1H3
InChIKeySGLSXSSZDANQHX-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.91
Rot. Bonds2

About 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol

1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol (PubChem CID 112627963) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
PubChem CID112627963
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3NO/c1-9(18)10-6-7-17(8-10)12-4-2-11(3-5-12)13(14,15)16/h2-5,9-10,18H,6-8H2,1H3
InChIKeySGLSXSSZDANQHX-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol
CID 115966647
1-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanamine
CID 55257621
N-ethyl-1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanamine
CID 63854243
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115965207
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 97337783
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102716130

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol (CID 112627963) is 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SGLSXSSZDANQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9(18)10-6-7-17(8-10)12-4-2-11(3-5-12)13(14,15)16/h2-5,9-10,18H,6-8H2,1H3.
What are the key properties of 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).