4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine

C11H19F2N — CID 148589536

IUPAC4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CC(F)(F)CC1CC(C)C
InChIInChI=1S/C11H19F2N/c1-8(2)5-10-6-11(12,13)7-14(10)9(3)4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyNAIZYHZDTFVBLP-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.28
Rot. Bonds3

About 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine

4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine (PubChem CID 148589536) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine
PubChem CID148589536
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CC(F)(F)CC1CC(C)C
InChIInChI=1S/C11H19F2N/c1-8(2)5-10-6-11(12,13)7-14(10)9(3)4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyNAIZYHZDTFVBLP-UHFFFAOYSA-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-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2R)-1-ethyl-4,4-difluoro-2-(2-methylpropyl)pyrrolidine
CID 58279609
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 58279613
(2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine
CID 90244680
1-(3,3-Difluoroprop-1-en-2-yl)-3-ethyl-4-propan-2-ylpyrrolidine
CID 117878252
1,2-Di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine
CID 118582154
(2R)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 121406228
4,4-Difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine
CID 142433939
4,4-Difluoro-2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 146244473
2-[2-(Fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine
CID 155418263
4-Ethyl-3,3-difluoro-1-prop-1-en-2-ylpyrrolidine
CID 156329290
(2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 156793083

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine (CID 148589536) is 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CC(F)(F)CC1CC(C)C.
What is the InChIKey of 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is NAIZYHZDTFVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)5-10-6-11(12,13)7-14(10)9(3)4/h8,10H,3,5-7H2,1-2,4H3.
What are the key properties of 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine?
4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine 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 4,4-difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 148589536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).