ethane;4-ethyl-3,3-difluoropyrrolidine

C8H17F2N — CID 177028431

IUPACethane;4-ethyl-3,3-difluoropyrrolidine
SMILESCC.CCC1CNCC1(F)F
InChIInChI=1S/C6H11F2N.C2H6/c1-2-5-3-9-4-6(5,7)8;1-2/h5,9H,2-4H2,1H3;1-2H3
InChIKeyPQALJEQHYMKYBU-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.28
Rot. Bonds1

About ethane;4-ethyl-3,3-difluoropyrrolidine

ethane;4-ethyl-3,3-difluoropyrrolidine (PubChem CID 177028431) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is ethane;4-ethyl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Nameethane;4-ethyl-3,3-difluoropyrrolidine
PubChem CID177028431
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Nameethane;4-ethyl-3,3-difluoropyrrolidine
SMILESCC.CCC1CNCC1(F)F
InChIInChI=1S/C6H11F2N.C2H6/c1-2-5-3-9-4-6(5,7)8;1-2/h5,9H,2-4H2,1H3;1-2H3
InChIKeyPQALJEQHYMKYBU-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine
CID 105452015
5-ethyl-2,7-diazaspiro[3.4]octane
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(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
3-ethyl-4-fluoro-4-methylpiperidine
CID 84716301
9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 71756628
3,3-difluoro-4-[(4-fluorophenyl)methyl]pyrrolidine
CID 84680896
3,3-difluoro-4-propylpiperidine
CID 84651633
(3R)-4,4-difluoropyrrolidin-3-amine;hydrochloride
CID 170923039
3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
CID 84680894
2,5-diethyl-1,1-difluorocyclopentane
CID 20771103
4,4-diethylpyrrolidin-3-amine
CID 149278511
3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine
CID 84680895

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-3,3-difluoropyrrolidine?
The IUPAC name of ethane;4-ethyl-3,3-difluoropyrrolidine (CID 177028431) is ethane;4-ethyl-3,3-difluoropyrrolidine.
What is the SMILES notation for ethane;4-ethyl-3,3-difluoropyrrolidine?
The canonical SMILES for ethane;4-ethyl-3,3-difluoropyrrolidine is CC.CCC1CNCC1(F)F.
What is the InChIKey of ethane;4-ethyl-3,3-difluoropyrrolidine?
The InChIKey is PQALJEQHYMKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C2H6/c1-2-5-3-9-4-6(5,7)8;1-2/h5,9H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-3,3-difluoropyrrolidine?
ethane;4-ethyl-3,3-difluoropyrrolidine has a molecular weight of 165.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-3,3-difluoropyrrolidine is sourced from PubChem (CID 177028431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).