1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

C9H18FNO — CID 155141609

IUPAC1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)C([C@@H]1CCCN1)(O)F
InChIInChI=1S/C9H18FNO/c1-8(2,3)9(10,12)7-5-4-6-11-7/h7,11-12H,4-6H2,1-3H3/t7-,9?/m0/s1
InChIKeyIIKDFXLBOOXGFX-JAVCKPHESA-N
MW175.24 g/mol
LogP1.70
Rot. Bonds2

About 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (PubChem CID 155141609) has the molecular formula C9H18FNO and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
PubChem CID155141609
Molecular FormulaC9H18FNO
Molecular Weight175.24 g/mol
Exact Mass175.14
IUPAC Name1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)C([C@@H]1CCCN1)(O)F
InChIInChI=1S/C9H18FNO/c1-8(2,3)9(10,12)7-5-4-6-11-7/h7,11-12H,4-6H2,1-3H3/t7-,9?/m0/s1
InChIKeyIIKDFXLBOOXGFX-JAVCKPHESA-N
XLogP1.70
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol hydrochloride
CID 167724587
2-[(2S,4S)-4-fluoropyrrolidin-2-yl]propan-2-ol hydrochloride
CID 167738719
(1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 155010639
(1R)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 11217316
2-Methyl-1-(4-methylpyrrolidin-2-yl)propan-1-ol
CID 12032217
6,6,6-Trifluoro-2-pyrrolidin-2-ylhexan-2-ol
CID 116535963
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol
CID 167724588
2-[(2S,4S)-4-fluoropyrrolidin-2-yl]propan-2-ol
CID 167736172
2-Methyl-1-pyrrolidin-2-ylpropan-1-ol
CID 10290851
3-[(2S)-pyrrolidin-2-yl]pentan-3-ol
CID 10534938
(1S)-2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 15021110
2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 59894173

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (CID 155141609) is 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is CC(C)(C)C([C@@H]1CCCN1)(O)F.
What is the InChIKey of 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The InChIKey is IIKDFXLBOOXGFX-JAVCKPHESA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2,3)9(10,12)7-5-4-6-11-7/h7,11-12H,4-6H2,1-3H3/t7-,9?/m0/s1.
What are the key properties of 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol has a molecular weight of 175.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 155141609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).