(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine

C11H19F2N — CID 162404797

IUPAC(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine
SMILESCC[C@H](C)/C=C/N1CC(F)(F)C[C@H]1C
InChIInChI=1S/C11H19F2N/c1-4-9(2)5-6-14-8-11(12,13)7-10(14)3/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+/t9-,10+/m0/s1
InChIKeySQAPWDSQEFORJN-FQNVXPIYSA-N
MW203.28 g/mol
LogP3.28
Rot. Bonds3

About (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine

(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine (PubChem CID 162404797) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine
PubChem CID162404797
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine
SMILESCC[C@H](C)/C=C/N1CC(F)(F)C[C@H]1C
InChIInChI=1S/C11H19F2N/c1-4-9(2)5-6-14-8-11(12,13)7-10(14)3/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+/t9-,10+/m0/s1
InChIKeySQAPWDSQEFORJN-FQNVXPIYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[(1E,3S)-3,6-dimethylhepta-1,5-dienyl]-4,4-difluoro-2-methylpyrrolidine
CID 164672084
N-1-pentenyl-2-methylpyrrolidine
CID 129868752
1-(2,3-Dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole
CID 155261879
1-(4,4-Dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
CID 170016412
1-(3-Fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole
CID 170073250
1-(3,3-Difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane
CID 177054045
3-ethyl-2,2-difluoro-1-propan-2-yl-4,5-dihydro-3H-azepine
CID 177191843
(2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine
CID 134843998
(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 134850848
(2R)-2-methyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 134942574
CID 164672054
CID 164672054
1-(3,3-Difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine
CID 177054046

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine?
The IUPAC name of (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine (CID 162404797) is (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine.
What is the SMILES notation for (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine?
The canonical SMILES for (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine is CC[C@H](C)/C=C/N1CC(F)(F)C[C@H]1C.
What is the InChIKey of (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine?
The InChIKey is SQAPWDSQEFORJN-FQNVXPIYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-4-9(2)5-6-14-8-11(12,13)7-10(14)3/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+/t9-,10+/m0/s1.
What are the key properties of (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine?
(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine has a molecular weight of 203.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine is sourced from PubChem (CID 162404797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).