1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol

C9H18FNO — CID 129229375

IUPAC1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol
SMILESCCN1CC(O)(F)CC1C(C)C
InChIInChI=1S/C9H18FNO/c1-4-11-6-9(10,12)5-8(11)7(2)3/h7-8,12H,4-6H2,1-3H3
InChIKeyCXTLMAOOGMKHKC-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.39
Rot. Bonds2

About 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol

1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol (PubChem CID 129229375) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol
PubChem CID129229375
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol
SMILESCCN1CC(O)(F)CC1C(C)C
InChIInChI=1S/C9H18FNO/c1-4-11-6-9(10,12)5-8(11)7(2)3/h7-8,12H,4-6H2,1-3H3
InChIKeyCXTLMAOOGMKHKC-UHFFFAOYSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 10012022
2-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 10351807
2-(1-Methylpyrrolidin-2-YL)propan-2-OL
CID 15758090
3-Fluoro-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 129229274
2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol
CID 155201050
(2S,3S,4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 161723469
(2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol
CID 166767249
(3S)-1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 169651693
(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
CID 170015918
1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol
CID 170366282
2-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol
CID 12179538
2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]propan-2-ol
CID 102209311

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol (CID 129229375) is 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol is CCN1CC(O)(F)CC1C(C)C.
What is the InChIKey of 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol?
The InChIKey is CXTLMAOOGMKHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-4-11-6-9(10,12)5-8(11)7(2)3/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol?
1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol has a molecular weight of 175.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 129229375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).