2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine

C12H13F4N — CID 117369679

IUPAC2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
SMILESFc1cc(C(F)F)cc(CC2CCCN2)c1F
InChIInChI=1S/C12H13F4N/c13-10-6-8(12(15)16)4-7(11(10)14)5-9-2-1-3-17-9/h4,6,9,12,17H,1-3,5H2
InChIKeyPRWDZCPNYUWDTR-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.20
Rot. Bonds3

About 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine

2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine (PubChem CID 117369679) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
PubChem CID117369679
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
SMILESFc1cc(C(F)F)cc(CC2CCCN2)c1F
InChIInChI=1S/C12H13F4N/c13-10-6-8(12(15)16)4-7(11(10)14)5-9-2-1-3-17-9/h4,6,9,12,17H,1-3,5H2
InChIKeyPRWDZCPNYUWDTR-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117386486
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
2-[(2,3-difluoro-5-methylsulfonylphenyl)methyl]piperidine
CID 117467481
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
2,3,5,6-tetrafluoro-N-(pyrrolidin-2-ylmethyl)aniline
CID 107643785

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine (CID 117369679) is 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine is Fc1cc(C(F)F)cc(CC2CCCN2)c1F.
What is the InChIKey of 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine?
The InChIKey is PRWDZCPNYUWDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/c13-10-6-8(12(15)16)4-7(11(10)14)5-9-2-1-3-17-9/h4,6,9,12,17H,1-3,5H2.
What are the key properties of 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine?
2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine has a molecular weight of 247.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine is sourced from PubChem (CID 117369679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).