2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate

C10H16F3NO3 — CID 62734845

IUPAC2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-9(16)14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2
InChIKeyVEFDFIUEXDETFV-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.92
Rot. Bonds4

About 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate

2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate (PubChem CID 62734845) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
PubChem CID62734845
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-9(16)14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2
InChIKeyVEFDFIUEXDETFV-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469307
2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478863
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
2-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 104569851
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 107877422
3-(tert-butylamino)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478861
2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate
CID 61067662
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62468280
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate (CID 62734845) is 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCCC1CCCO.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate?
The InChIKey is VEFDFIUEXDETFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-9(16)14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2.
What are the key properties of 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 62734845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).