1-(3,5-difluorophenyl)pyrrolidine

C10H11F2N — CID 18454792

IUPAC1-(3,5-difluorophenyl)pyrrolidine
SMILESFc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C10H11F2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
InChIKeyHYXOAHPNHMJCKY-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.57
Rot. Bonds1

About 1-(3,5-difluorophenyl)pyrrolidine

1-(3,5-difluorophenyl)pyrrolidine (PubChem CID 18454792) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)pyrrolidine
PubChem CID18454792
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name1-(3,5-difluorophenyl)pyrrolidine
SMILESFc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C10H11F2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
InChIKeyHYXOAHPNHMJCKY-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)piperidine
CID 55251038
(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
3-(azocan-1-yl)-5-fluorobenzonitrile
CID 102815222
1-[3-(chloromethyl)-5-fluorophenyl]azocane
CID 106530289
1-(3,4,5-trifluorophenyl)pyrrolidine
CID 67937065
1-(3-fluoro-5-nitrophenyl)pyrrolidine
CID 22636164
3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline
CID 115885020
3-fluoro-5-pyrrolidin-1-ylbenzoyl chloride
CID 87841147
1-(3-fluoro-5-piperidin-1-ylphenyl)ethanone
CID 82535446
4-(3,5-difluorophenyl)piperazine-1-carbaldehyde
CID 134499697
1-(4-bromo-3,5-difluorophenyl)azetidine
CID 130941989
2-chloro-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)acetamide
CID 138042070

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)pyrrolidine?
The IUPAC name of 1-(3,5-difluorophenyl)pyrrolidine (CID 18454792) is 1-(3,5-difluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(3,5-difluorophenyl)pyrrolidine?
The canonical SMILES for 1-(3,5-difluorophenyl)pyrrolidine is Fc1cc(F)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)pyrrolidine?
The InChIKey is HYXOAHPNHMJCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2.
What are the key properties of 1-(3,5-difluorophenyl)pyrrolidine?
1-(3,5-difluorophenyl)pyrrolidine has a molecular weight of 183.20 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)pyrrolidine is sourced from PubChem (CID 18454792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).