2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine

C17H16ClF2N — CID 20895803

IUPAC2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(CN2CCCC2c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C17H16ClF2N/c18-14-6-3-12(4-7-14)17-2-1-9-21(17)11-13-5-8-15(19)10-16(13)20/h3-8,10,17H,1-2,9,11H2
InChIKeyHMQLZFXECSUTLT-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine

2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine (PubChem CID 20895803) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine
PubChem CID20895803
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(CN2CCCC2c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C17H16ClF2N/c18-14-6-3-12(4-7-14)17-2-1-9-21(17)11-13-5-8-15(19)10-16(13)20/h3-8,10,17H,1-2,9,11H2
InChIKeyHMQLZFXECSUTLT-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorcyclizine
CID 2710
Pyrrobutamine
CID 8669
1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
CID 5284614
2-(4-Chlorophenyl)-2-pyrrolidin-1-yl-acetonitrile
CID 24276601
Chlorcyclizine, (R)-
CID 688438
Chlorcyclizine, (S)-
CID 688437
4-(4-Chloro-phenyl)-1-(4-phenyl-butyl)-1,2,3,6-tetrahydro-pyridine
CID 18790204
Pyrrolidine, 2-(4-chlorophenyl)-1-methyl-
CID 44387149
(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 52514484
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119339
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine
CID 118119341

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine (CID 20895803) is 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine is Fc1ccc(CN2CCCC2c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine?
The InChIKey is HMQLZFXECSUTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c18-14-6-3-12(4-7-14)17-2-1-9-21(17)11-13-5-8-15(19)10-16(13)20/h3-8,10,17H,1-2,9,11H2.
What are the key properties of 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine?
2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine has a molecular weight of 307.77 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 20895803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).