(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine

C11H14FN — CID 86309434

IUPAC(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(C[C@@H]2CCNC2)cc1
InChIInChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,10,13H,5-8H2/t10-/m0/s1
InChIKeyDOAKNLUWVTUZKA-JTQLQIEISA-N
MW179.24 g/mol
LogP1.98
Rot. Bonds2

About (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine

(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine (PubChem CID 86309434) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
PubChem CID86309434
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(C[C@@H]2CCNC2)cc1
InChIInChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,10,13H,5-8H2/t10-/m0/s1
InChIKeyDOAKNLUWVTUZKA-JTQLQIEISA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 54174979
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
3-[[4-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 84799771
4-(pyrrolidin-3-ylmethyl)benzaldehyde
CID 105443694
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
CID 116991916
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 84790383

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine (CID 86309434) is (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine is Fc1ccc(C[C@@H]2CCNC2)cc1.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine?
The InChIKey is DOAKNLUWVTUZKA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,10,13H,5-8H2/t10-/m0/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine?
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 86309434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).