(2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine

C12H19F2N — CID 147670972

IUPAC(2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine
SMILESCC(F)(F)C1CC=C([C@H]2CCCN2)CC1
InChIInChI=1S/C12H19F2N/c1-12(13,14)10-6-4-9(5-7-10)11-3-2-8-15-11/h4,10-11,15H,2-3,5-8H2,1H3/t10?,11-/m1/s1
InChIKeyGNFLKEJHHURLNG-RRKGBCIJSA-N
MW215.29 g/mol
LogP3.12
Rot. Bonds2

About (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine

(2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine (PubChem CID 147670972) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine
PubChem CID147670972
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine
SMILESCC(F)(F)C1CC=C([C@H]2CCCN2)CC1
InChIInChI=1S/C12H19F2N/c1-12(13,14)10-6-4-9(5-7-10)11-3-2-8-15-11/h4,10-11,15H,2-3,5-8H2,1H3/t10?,11-/m1/s1
InChIKeyGNFLKEJHHURLNG-RRKGBCIJSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
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(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
(2S,4S)-4-fluoro-2-(3-methylbut-1-en-2-yl)pyrrolidine
CID 89494790
(2R)-2-[5-(fluoromethyl)-2,5-dihydro-1H-pyrrol-2-yl]-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 90434015
4-Fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine
CID 91554489
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 118008135
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
2-(4-Fluoro-3-methylcyclohex-3-en-1-yl)-3-(3-propan-2-yl-4-propylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 123157584
2-(4-Fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3-(3-propan-2-yl-4-propylcyclohexen-1-yl)pyrrolidine
CID 123169673
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine?
The IUPAC name of (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine (CID 147670972) is (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine is CC(F)(F)C1CC=C([C@H]2CCCN2)CC1.
What is the InChIKey of (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine?
The InChIKey is GNFLKEJHHURLNG-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H19F2N/c1-12(13,14)10-6-4-9(5-7-10)11-3-2-8-15-11/h4,10-11,15H,2-3,5-8H2,1H3/t10?,11-/m1/s1.
What are the key properties of (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine?
(2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine has a molecular weight of 215.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1,1-difluoroethyl)cyclohexen-1-yl]pyrrolidine is sourced from PubChem (CID 147670972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).