1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine

C11H12ClF2N — CID 117007615

IUPAC1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
SMILESCc1ccc(Cl)cc1N1CCC(F)(F)C1
InChIInChI=1S/C11H12ClF2N/c1-8-2-3-9(12)6-10(8)15-5-4-11(13,14)7-15/h2-3,6H,4-5,7H2,1H3
InChIKeyPMVHFNQCMVLHBT-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.49
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine

1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine (PubChem CID 117007615) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
PubChem CID117007615
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
SMILESCc1ccc(Cl)cc1N1CCC(F)(F)C1
InChIInChI=1S/C11H12ClF2N/c1-8-2-3-9(12)6-10(8)15-5-4-11(13,14)7-15/h2-3,6H,4-5,7H2,1H3
InChIKeyPMVHFNQCMVLHBT-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
CID 117007699
1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
CID 117007621
2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 82486515
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
1-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine
CID 117007618
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362
3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine
CID 117007604
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
CID 117002914
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
CID 163352025

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine (CID 117007615) is 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine is Cc1ccc(Cl)cc1N1CCC(F)(F)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine?
The InChIKey is PMVHFNQCMVLHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c1-8-2-3-9(12)6-10(8)15-5-4-11(13,14)7-15/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine?
1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine has a molecular weight of 231.67 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 117007615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).