1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol

C9H18FNO — CID 130735372

IUPAC1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-8(2,12)6-11-5-4-9(3,10)7-11/h12H,4-7H2,1-3H3
InChIKeyPAUYIJGVTIBWPO-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds2

About 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol

1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol (PubChem CID 130735372) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
PubChem CID130735372
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-8(2,12)6-11-5-4-9(3,10)7-11/h12H,4-7H2,1-3H3
InChIKeyPAUYIJGVTIBWPO-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-(pyrrolidin-1-yl)butan-2-ol
CID 79359808
1-Methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59504971
(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910943
(3S)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910944
1-Ethyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124199965
3-(Fluoromethyl)-1-methylpyrrolidin-3-ol
CID 126759752
1-(2-Methylpropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 127394866
1-Propyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130161553
1-Tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 139475044
Ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 164869971
1-[Ethyl(methyl)amino]-4,4,4-trifluoro-2-methylbutan-2-ol
CID 169073937
1-(Diethylamino)-4,4,4-trifluoro-2-methylbutan-2-ol
CID 169073967

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol (CID 130735372) is 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol is CC(C)(O)CN1CCC(C)(F)C1.
What is the InChIKey of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol?
The InChIKey is PAUYIJGVTIBWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2,12)6-11-5-4-9(3,10)7-11/h12H,4-7H2,1-3H3.
What are the key properties of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol?
1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 130735372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).