4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole

C14H13ClFN — CID 90852158

IUPAC4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESFc1ccc(CC2CCc3[nH]ccc32)cc1Cl
InChIInChI=1S/C14H13ClFN/c15-12-8-9(1-3-13(12)16)7-10-2-4-14-11(10)5-6-17-14/h1,3,5-6,8,10,17H,2,4,7H2
InChIKeyGGSOVFWPFDKMRL-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.08
Rot. Bonds2

About 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole

4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole (PubChem CID 90852158) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
PubChem CID90852158
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
SMILESFc1ccc(CC2CCc3[nH]ccc32)cc1Cl
InChIInChI=1S/C14H13ClFN/c15-12-8-9(1-3-13(12)16)7-10-2-4-14-11(10)5-6-17-14/h1,3,5-6,8,10,17H,2,4,7H2
InChIKeyGGSOVFWPFDKMRL-UHFFFAOYSA-N
XLogP4.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63772616
2-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103038628
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 103041667
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
CID 106471356
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955757
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
5-[(3-chloro-4-fluorophenyl)methyl]-2-methylthiolan-3-one
CID 174584446

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole (CID 90852158) is 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole is Fc1ccc(CC2CCc3[nH]ccc32)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole?
The InChIKey is GGSOVFWPFDKMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-12-8-9(1-3-13(12)16)7-10-2-4-14-11(10)5-6-17-14/h1,3,5-6,8,10,17H,2,4,7H2.
What are the key properties of 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole?
4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole has a molecular weight of 249.72 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 90852158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).