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

C10H18F3NO — CID 112628410

IUPAC1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8(15)9-3-6-14(7-9)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyNBJQJKNLIAGKEA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds4

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

1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol (PubChem CID 112628410) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol
PubChem CID112628410
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8(15)9-3-6-14(7-9)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyNBJQJKNLIAGKEA-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-(1,3-Dimethylpyrrolidin-3-yl)-3,3,3-trifluoropropan-1-ol
CID 60007018
2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 60007094
2,2,2-Trifluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 60007123
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol
CID 66815390
1-(1-Tert-butylpyrrolidin-3-yl)-2-fluoroethanol
CID 66815505
3-[3-(1-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281088
3-[3-(2-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67283084
4,4-Difluoro-5-(pyrrolidin-1-yl)pentan-2-ol
CID 69672148
1-(2,2-Difluoropyrrolidin-3-yl)ethanol
CID 69798619
1-(1-Ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 89584678
2,2,2-Trifluoro-1-(1-propylpiperidin-4-yl)ethanol
CID 112326754
1-(1-Tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol
CID 118880823

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol (CID 112628410) is 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CCCC(F)(F)F)C1.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol?
The InChIKey is NBJQJKNLIAGKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(15)9-3-6-14(7-9)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol?
1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).