(3S,4S)-3-fluoro-4-methylpyrrolidine

C5H10FN — CID 118447015

IUPAC(3S,4S)-3-fluoro-4-methylpyrrolidine
SMILESC[C@H]1CNC[C@H]1F
InChIInChI=1S/C5H10FN/c1-4-2-7-3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyHPCFSOFBKLAFII-CRCLSJGQSA-N
MW103.14 g/mol
LogP0.56
Rot. Bonds

About (3S,4S)-3-fluoro-4-methylpyrrolidine

(3S,4S)-3-fluoro-4-methylpyrrolidine (PubChem CID 118447015) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-methylpyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-methylpyrrolidine
PubChem CID118447015
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name(3S,4S)-3-fluoro-4-methylpyrrolidine
SMILESC[C@H]1CNC[C@H]1F
InChIInChI=1S/C5H10FN/c1-4-2-7-3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyHPCFSOFBKLAFII-CRCLSJGQSA-N
XLogP0.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(4S)-3-fluoro-4-methylpyrrolidine
CID 177212529
ethane;3-fluoro-4-methylpyrrolidine
CID 144862770
3,5-dimethylpiperidin-4-amine
CID 10171243
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
3-fluoro-4-methoxypyrrolidine
CID 22603647
(3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine
CID 99866729
3,5-dimethylpiperidin-4-ol;ethane
CID 176666809
(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride
CID 154810015
1-(4-fluoropyrrolidin-3-yl)ethanamine
CID 57015274
(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride
CID 167714876
(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride
CID 25178690
acetaldehyde;(3S,4R)-3,4-dimethylpyrrolidine;ethane
CID 143696476

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-methylpyrrolidine?
The IUPAC name of (3S,4S)-3-fluoro-4-methylpyrrolidine (CID 118447015) is (3S,4S)-3-fluoro-4-methylpyrrolidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-methylpyrrolidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-methylpyrrolidine is C[C@H]1CNC[C@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-4-methylpyrrolidine?
The InChIKey is HPCFSOFBKLAFII-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10FN/c1-4-2-7-3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-methylpyrrolidine?
(3S,4S)-3-fluoro-4-methylpyrrolidine has a molecular weight of 103.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-methylpyrrolidine is sourced from PubChem (CID 118447015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).