ethane;(4S)-3-fluoro-4-methylpyrrolidine

C7H16FN — CID 177212529

IUPACethane;(4S)-3-fluoro-4-methylpyrrolidine
SMILESCC.C[C@H]1CNCC1F
InChIInChI=1S/C5H10FN.C2H6/c1-4-2-7-3-5(4)6;1-2/h4-5,7H,2-3H2,1H3;1-2H3/t4-,5?;/m0./s1
InChIKeyQJYVPRKKLDMIKK-PHHGQXFYSA-N
MW133.21 g/mol
LogP1.59
Rot. Bonds

About ethane;(4S)-3-fluoro-4-methylpyrrolidine

ethane;(4S)-3-fluoro-4-methylpyrrolidine (PubChem CID 177212529) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is ethane;(4S)-3-fluoro-4-methylpyrrolidine.

Molecular Properties

Compound Nameethane;(4S)-3-fluoro-4-methylpyrrolidine
PubChem CID177212529
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Nameethane;(4S)-3-fluoro-4-methylpyrrolidine
SMILESCC.C[C@H]1CNCC1F
InChIInChI=1S/C5H10FN.C2H6/c1-4-2-7-3-5(4)6;1-2/h4-5,7H,2-3H2,1H3;1-2H3/t4-,5?;/m0./s1
InChIKeyQJYVPRKKLDMIKK-PHHGQXFYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-fluoro-4-methylpyrrolidine
CID 144862770
(3S,4S)-3-fluoro-4-methylpyrrolidine
CID 118447015
3,5-dimethylpiperidin-4-ol;ethane
CID 176666809
ethane;3-methylazetidine
CID 90730870
acetaldehyde;(3S,4R)-3,4-dimethylpyrrolidine;ethane
CID 143696476
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
(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

Frequently Asked Questions

What is the IUPAC name of ethane;(4S)-3-fluoro-4-methylpyrrolidine?
The IUPAC name of ethane;(4S)-3-fluoro-4-methylpyrrolidine (CID 177212529) is ethane;(4S)-3-fluoro-4-methylpyrrolidine.
What is the SMILES notation for ethane;(4S)-3-fluoro-4-methylpyrrolidine?
The canonical SMILES for ethane;(4S)-3-fluoro-4-methylpyrrolidine is CC.C[C@H]1CNCC1F.
What is the InChIKey of ethane;(4S)-3-fluoro-4-methylpyrrolidine?
The InChIKey is QJYVPRKKLDMIKK-PHHGQXFYSA-N. The full InChI is InChI=1S/C5H10FN.C2H6/c1-4-2-7-3-5(4)6;1-2/h4-5,7H,2-3H2,1H3;1-2H3/t4-,5?;/m0./s1.
What are the key properties of ethane;(4S)-3-fluoro-4-methylpyrrolidine?
ethane;(4S)-3-fluoro-4-methylpyrrolidine has a molecular weight of 133.21 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4S)-3-fluoro-4-methylpyrrolidine is sourced from PubChem (CID 177212529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).