2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine

C15H15F2N — CID 116839033

IUPAC2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine
SMILESFC(F)(c1cccc2ccccc12)C1CCCN1
InChIInChI=1S/C15H15F2N/c16-15(17,14-9-4-10-18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,18H,4,9-10H2
InChIKeyZULFYWNNMUPCGW-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.68
Rot. Bonds2

About 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine

2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine (PubChem CID 116839033) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine
PubChem CID116839033
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine
SMILESFC(F)(c1cccc2ccccc12)C1CCCN1
InChIInChI=1S/C15H15F2N/c16-15(17,14-9-4-10-18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,18H,4,9-10H2
InChIKeyZULFYWNNMUPCGW-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[dinaphthalen-1-yl(pyrrolidin-2-yl)methoxy]-trimethylsilane
CID 69476600
[(2S)-azetidin-2-yl]-dinaphthalen-1-ylmethanol
CID 139972868
2-[difluoro(phenyl)methyl]azepane
CID 105483060
2-[2-(2-fluorophenyl)propan-2-yl]pyrrolidine
CID 83909049
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881
2-[difluoro(phenyl)methyl]azetidine
CID 105440437
2-[fluoro(naphthalen-1-yl)methyl]pyrrolidine
CID 106640343
2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
CID 116838944
1-(trichloromethyl)naphthalene
CID 12791328
2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
CID 116839210
2-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853698

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine?
The IUPAC name of 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine (CID 116839033) is 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine is FC(F)(c1cccc2ccccc12)C1CCCN1.
What is the InChIKey of 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine?
The InChIKey is ZULFYWNNMUPCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c16-15(17,14-9-4-10-18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,18H,4,9-10H2.
What are the key properties of 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine?
2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine has a molecular weight of 247.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 116839033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).