ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine

C8H18FN — CID 170715036

IUPACethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine
SMILESCC.C[C@@H]1CN(C)C[C@H]1F
InChIInChI=1S/C6H12FN.C2H6/c1-5-3-8(2)4-6(5)7;1-2/h5-6H,3-4H2,1-2H3;1-2H3/t5-,6-;/m1./s1
InChIKeyVVZLAWFYLDAOSY-KGZKBUQUSA-N
MW147.24 g/mol
LogP1.93
Rot. Bonds

About ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine

ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine (PubChem CID 170715036) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Nameethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine
PubChem CID170715036
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Nameethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine
SMILESCC.C[C@@H]1CN(C)C[C@H]1F
InChIInChI=1S/C6H12FN.C2H6/c1-5-3-8(2)4-6(5)7;1-2/h5-6H,3-4H2,1-2H3;1-2H3/t5-,6-;/m1./s1
InChIKeyVVZLAWFYLDAOSY-KGZKBUQUSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine?
The IUPAC name of ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine (CID 170715036) is ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine.
What is the SMILES notation for ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine?
The canonical SMILES for ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine is CC.C[C@@H]1CN(C)C[C@H]1F.
What is the InChIKey of ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine?
The InChIKey is VVZLAWFYLDAOSY-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H12FN.C2H6/c1-5-3-8(2)4-6(5)7;1-2/h5-6H,3-4H2,1-2H3;1-2H3/t5-,6-;/m1./s1.
What are the key properties of ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine?
ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine has a molecular weight of 147.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine is sourced from PubChem (CID 170715036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).