3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol

C9H18FNO — CID 105436251

IUPAC3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol
SMILESCC(O)C(F)CC1CCN(C)C1
InChIInChI=1S/C9H18FNO/c1-7(12)9(10)5-8-3-4-11(2)6-8/h7-9,12H,3-6H2,1-2H3
InChIKeyPKTVGCQYWSGQFB-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol

3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol (PubChem CID 105436251) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol
PubChem CID105436251
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol
SMILESCC(O)C(F)CC1CCN(C)C1
InChIInChI=1S/C9H18FNO/c1-7(12)9(10)5-8-3-4-11(2)6-8/h7-9,12H,3-6H2,1-2H3
InChIKeyPKTVGCQYWSGQFB-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

[3-(Fluoromethyl)-2-hydroxyheptyl]-trimethylazanium
CID 87169846
1-[1,4-Di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 163397622
[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164878972
(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
CID 170015918
1-(1,2-Dimethylpyrrolidin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 172308746
2-(1-Ethylpyrrolidin-3-yl)-2-fluoroethanol
CID 105431671
3-Fluoro-4-pyrrolidin-3-ylbutan-2-ol
CID 105431679
2-Fluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 105431680
1-Fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 105431690
1-Fluoro-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 105436254
2,2-Difluoro-3-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 105437944
1,1-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 105437953

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol?
The IUPAC name of 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol (CID 105436251) is 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol.
What is the SMILES notation for 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol?
The canonical SMILES for 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol is CC(O)C(F)CC1CCN(C)C1.
What is the InChIKey of 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol?
The InChIKey is PKTVGCQYWSGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(12)9(10)5-8-3-4-11(2)6-8/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol?
3-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-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-fluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol is sourced from PubChem (CID 105436251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).