1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol

C8H12F5NO — CID 121494130

IUPAC1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol
SMILESOC1CCN(CCC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)2-4-14-3-1-6(15)5-14/h6,15H,1-5H2
InChIKeyLGNHDGRVCQXJAC-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.64
Rot. Bonds3

About 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol

1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol (PubChem CID 121494130) has the molecular formula C8H12F5NO and a molecular weight of 233.18 g/mol. Its IUPAC name is 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol
PubChem CID121494130
Molecular FormulaC8H12F5NO
Molecular Weight233.18 g/mol
Exact Mass233.08
IUPAC Name1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol
SMILESOC1CCN(CCC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)2-4-14-3-1-6(15)5-14/h6,15H,1-5H2
InChIKeyLGNHDGRVCQXJAC-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948
(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol
CID 130693205
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
1-(3-amino-3-methylbutyl)piperidin-3-ol
CID 82405665
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
1-(9-bromononyl)pyrrolidin-3-ol
CID 105343751
2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide
CID 167969156
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol (CID 121494130) is 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol is OC1CCN(CCC(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol?
The InChIKey is LGNHDGRVCQXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)2-4-14-3-1-6(15)5-14/h6,15H,1-5H2.
What are the key properties of 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol?
1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol has a molecular weight of 233.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4,4-pentafluorobutyl)pyrrolidin-3-ol is sourced from PubChem (CID 121494130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).