1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol

C10H17F5N2O — CID 165439242

IUPAC1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C(CN)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H17F5N2O/c1-6(18)7-2-3-17(5-7)8(4-16)9(11,12)10(13,14)15/h6-8,18H,2-5,16H2,1H3
InChIKeyAUWPWBXOHVLKAH-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.21
Rot. Bonds4

About 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 165439242) has the molecular formula C10H17F5N2O and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID165439242
Molecular FormulaC10H17F5N2O
Molecular Weight276.25 g/mol
Exact Mass276.13
IUPAC Name1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C(CN)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H17F5N2O/c1-6(18)7-2-3-17(5-7)8(4-16)9(11,12)10(13,14)15/h6-8,18H,2-5,16H2,1H3
InChIKeyAUWPWBXOHVLKAH-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
CID 71921429
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 66055561
(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
CID 66837420
4-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706288
3-[[(3-Amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 65981618
3-[[(3-Amino-1,1,1-trifluoropropan-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 65982676
3-[[(3-Amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 65982681
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054207
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 66054780
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 66054979
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 66055172
1-(3-Amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055584

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol (CID 165439242) is 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(C(CN)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is AUWPWBXOHVLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5N2O/c1-6(18)7-2-3-17(5-7)8(4-16)9(11,12)10(13,14)15/h6-8,18H,2-5,16H2,1H3.
What are the key properties of 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 276.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 165439242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).