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

C9H18FNO — CID 130643250

IUPAC3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CCC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-8(6-12)5-11-4-3-9(2,10)7-11/h8,12H,3-7H2,1-2H3
InChIKeyMATNNTWTVHSEIX-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

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

3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol (PubChem CID 130643250) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol
PubChem CID130643250
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CCC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-8(6-12)5-11-4-3-9(2,10)7-11/h8,12H,3-7H2,1-2H3
InChIKeyMATNNTWTVHSEIX-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-Ol
CID 268115
(1-Methylpyrrolidin-3-yl)methanol
CID 295970
(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
3-(3-Fluoropyrrolidin-1-yl)propan-1-ol
CID 17980545
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
2-Methyl-3-(pyrrolidin-1-yl)propan-1-ol
CID 25219176
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
(2R)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 25418778
(S)-(1-Methylpyrrolidin-3-YL)methanol
CID 38988801
3-[3-(1-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281088
3-[3-(2-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67283084
3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol
CID 68776394

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol (CID 130643250) is 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol is CC(CO)CN1CCC(C)(F)C1.
What is the InChIKey of 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol?
The InChIKey is MATNNTWTVHSEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(6-12)5-11-4-3-9(2,10)7-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol?
3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 130643250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).