3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine

C12H13ClF3N — CID 84807242

IUPAC3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1ccc(CC2CCNC2)c(Cl)c1
InChIInChI=1S/C12H13ClF3N/c13-11-6-10(12(14,15)16)2-1-9(11)5-8-3-4-17-7-8/h1-2,6,8,17H,3-5,7H2
InChIKeyQDMNDBRAUNGRFA-UHFFFAOYSA-N
MW263.69 g/mol
LogP3.51
Rot. Bonds2

About 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine

3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 84807242) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID84807242
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1ccc(CC2CCNC2)c(Cl)c1
InChIInChI=1S/C12H13ClF3N/c13-11-6-10(12(14,15)16)2-1-9(11)5-8-3-4-17-7-8/h1-2,6,8,17H,3-5,7H2
InChIKeyQDMNDBRAUNGRFA-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-(pyrrolidin-3-ylmethyl)benzoic acid
CID 84800004
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
3-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 115512109
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054202
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 84807242) is 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine is FC(F)(F)c1ccc(CC2CCNC2)c(Cl)c1.
What is the InChIKey of 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is QDMNDBRAUNGRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-11-6-10(12(14,15)16)2-1-9(11)5-8-3-4-17-7-8/h1-2,6,8,17H,3-5,7H2.
What are the key properties of 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 263.69 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 84807242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).