ethane;3-(fluoromethyl)-3-methylpyrrolidine

C8H18FN — CID 178041858

IUPACethane;3-(fluoromethyl)-3-methylpyrrolidine
SMILESCC.CC1(CF)CCNC1
InChIInChI=1S/C6H12FN.C2H6/c1-6(4-7)2-3-8-5-6;1-2/h8H,2-5H2,1H3;1-2H3
InChIKeyZNWOCBMUGVWJSE-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds1

About ethane;3-(fluoromethyl)-3-methylpyrrolidine

ethane;3-(fluoromethyl)-3-methylpyrrolidine (PubChem CID 178041858) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is ethane;3-(fluoromethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Nameethane;3-(fluoromethyl)-3-methylpyrrolidine
PubChem CID178041858
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Nameethane;3-(fluoromethyl)-3-methylpyrrolidine
SMILESCC.CC1(CF)CCNC1
InChIInChI=1S/C6H12FN.C2H6/c1-6(4-7)2-3-8-5-6;1-2/h8H,2-5H2,1H3;1-2H3
InChIKeyZNWOCBMUGVWJSE-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
3-methyl-3-propylpyrrolidine
CID 22393542
N,N-dimethyl-2-(3-methylpyrrolidin-3-yl)ethanamine;ethane
CID 145166475
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688
2-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143175
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63142900
CID 163567605
CID 163567605
3-benzyl-3-methylpyrrolidine
CID 58254769
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63701115

Frequently Asked Questions

What is the IUPAC name of ethane;3-(fluoromethyl)-3-methylpyrrolidine?
The IUPAC name of ethane;3-(fluoromethyl)-3-methylpyrrolidine (CID 178041858) is ethane;3-(fluoromethyl)-3-methylpyrrolidine.
What is the SMILES notation for ethane;3-(fluoromethyl)-3-methylpyrrolidine?
The canonical SMILES for ethane;3-(fluoromethyl)-3-methylpyrrolidine is CC.CC1(CF)CCNC1.
What is the InChIKey of ethane;3-(fluoromethyl)-3-methylpyrrolidine?
The InChIKey is ZNWOCBMUGVWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN.C2H6/c1-6(4-7)2-3-8-5-6;1-2/h8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-(fluoromethyl)-3-methylpyrrolidine?
ethane;3-(fluoromethyl)-3-methylpyrrolidine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(fluoromethyl)-3-methylpyrrolidine is sourced from PubChem (CID 178041858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).