2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine

C14H17ClFN — CID 114856133

IUPAC2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
SMILESFc1cc(Cl)ccc1CC1(C2CC2)CCCN1
InChIInChI=1S/C14H17ClFN/c15-12-5-2-10(13(16)8-12)9-14(11-3-4-11)6-1-7-17-14/h2,5,8,11,17H,1,3-4,6-7,9H2
InChIKeyJOMQJUOATSVDFW-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.55
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine

2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine (PubChem CID 114856133) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
PubChem CID114856133
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC Name2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
SMILESFc1cc(Cl)ccc1CC1(C2CC2)CCCN1
InChIInChI=1S/C14H17ClFN/c15-12-5-2-10(13(16)8-12)9-14(11-3-4-11)6-1-7-17-14/h2,5,8,11,17H,1,3-4,6-7,9H2
InChIKeyJOMQJUOATSVDFW-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466031
2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466260
2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66468538
2-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropylazepane
CID 106868498
2-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79117461
2-[(2-bromophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66468305
2-[(4-chloro-2-fluorophenyl)methyl]-2-ethylazepane
CID 114856386
2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 79708745
2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
CID 66466946
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79708908

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine (CID 114856133) is 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine is Fc1cc(Cl)ccc1CC1(C2CC2)CCCN1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine?
The InChIKey is JOMQJUOATSVDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN/c15-12-5-2-10(13(16)8-12)9-14(11-3-4-11)6-1-7-17-14/h2,5,8,11,17H,1,3-4,6-7,9H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine?
2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine has a molecular weight of 253.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine is sourced from PubChem (CID 114856133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).