(3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol

C8H16FNO — CID 177132672

IUPAC(3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1C[C@@H](O)[C@@H](F)C1
InChIInChI=1S/C8H16FNO/c1-6(2)3-10-4-7(9)8(11)5-10/h6-8,11H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyXECRTJSXADNPHT-JGVFFNPUSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds2

About (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol

(3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 177132672) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID177132672
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1C[C@@H](O)[C@@H](F)C1
InChIInChI=1S/C8H16FNO/c1-6(2)3-10-4-7(9)8(11)5-10/h6-8,11H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyXECRTJSXADNPHT-JGVFFNPUSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol (CID 177132672) is (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol is CC(C)CN1C[C@@H](O)[C@@H](F)C1.
What is the InChIKey of (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is XECRTJSXADNPHT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)3-10-4-7(9)8(11)5-10/h6-8,11H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol?
(3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 177132672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).