2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine

C11H13ClFN — CID 81014810

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CCC1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c12-9-2-1-3-10(13)8(9)6-7-4-5-11(7)14/h1-3,7,11H,4-6,14H2
InChIKeyWZVIDIQTBDCHRB-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.76
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine

2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine (PubChem CID 81014810) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
PubChem CID81014810
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CCC1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c12-9-2-1-3-10(13)8(9)6-7-4-5-11(7)14/h1-3,7,11H,4-6,14H2
InChIKeyWZVIDIQTBDCHRB-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
CID 114935142
2-[(3-bromo-2-methylcyclopentyl)methyl]-1-chloro-3-fluorobenzene
CID 64909046
1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene
CID 64907735
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
(3S,4S)-3-[(2-chloro-6-fluorophenyl)methyl]oxane-4-thiol
CID 97168653
6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63459606
2-[(2-chloro-6-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021366
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
CID 64513208
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562293
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
CID 112652653

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine (CID 81014810) is 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine is NC1CCC1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is WZVIDIQTBDCHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-9-2-1-3-10(13)8(9)6-7-4-5-11(7)14/h1-3,7,11H,4-6,14H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine?
2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine has a molecular weight of 213.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81014810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).