3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine

C12H14ClF2N — CID 84802962

IUPAC3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)c1ccc(Cl)cc1CC1CCNC1
InChIInChI=1S/C12H14ClF2N/c13-10-1-2-11(12(14)15)9(6-10)5-8-3-4-16-7-8/h1-2,6,8,12,16H,3-5,7H2
InChIKeyBNIRVHILLYYDON-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.43
Rot. Bonds3

About 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine

3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 84802962) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID84802962
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)c1ccc(Cl)cc1CC1CCNC1
InChIInChI=1S/C12H14ClF2N/c13-10-1-2-11(12(14)15)9(6-10)5-8-3-4-16-7-8/h1-2,6,8,12,16H,3-5,7H2
InChIKeyBNIRVHILLYYDON-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84793216
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine
CID 117406204
6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
CID 84639003
2,3,4-trifluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84794176
3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine
CID 84797929
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84807242
3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
CID 84788099

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine (CID 84802962) is 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine is FC(F)c1ccc(Cl)cc1CC1CCNC1.
What is the InChIKey of 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is BNIRVHILLYYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-1-2-11(12(14)15)9(6-10)5-8-3-4-16-7-8/h1-2,6,8,12,16H,3-5,7H2.
What are the key properties of 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine?
3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 245.70 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 84802962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).