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

C10H18F3NO — CID 114799712

IUPAC2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-1-5-14-6-2-9(8-14)3-7-15/h9,15H,1-8H2
InChIKeyOGVHBRVUHFBXBN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds5

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

2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol (PubChem CID 114799712) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol
PubChem CID114799712
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-1-5-14-6-2-9(8-14)3-7-15/h9,15H,1-8H2
InChIKeyOGVHBRVUHFBXBN-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2-(1-Methylpyrrolidin-3-yl)ethan-1-ol
CID 21191123
4,4-Difluoro-5-(pyrrolidin-1-yl)pentan-1-ol
CID 69672278
2-[1-(2,2,2-Trifluoro-ethyl)-piperidin-4-yl]-ethanol
CID 71501361
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
CID 105432623
[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 131061530
[3-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 142794277
[(2R)-4,4-difluoro-1-(3-methylbutan-2-yl)pyrrolidin-2-yl]methanol
CID 146286428
(4R)-4-fluoro-5-pyrrolidin-1-ylpentan-1-ol
CID 155232855
[3-(2,2,2-Trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 167468149
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol
CID 168880963
3-[(3R,4R)-3-ethyl-4-fluoropyrrolidin-1-yl]-2,2-difluoropropan-1-ol
CID 172367588
2-[1-(1,2,2-Trifluoroethyl)piperidin-4-yl]ethanol
CID 175567853

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol (CID 114799712) is 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CCCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol?
The InChIKey is OGVHBRVUHFBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)4-1-5-14-6-2-9(8-14)3-7-15/h9,15H,1-8H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol?
2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).