3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine

C11H13ClFN — CID 112563994

IUPAC3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H13ClFN/c12-9-3-1-8(2-4-9)5-11(13)6-10(14)7-11/h1-4,10H,5-7,14H2
InChIKeyGWSJBNPVIZDFHN-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.71
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine

3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine (PubChem CID 112563994) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine
PubChem CID112563994
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H13ClFN/c12-9-3-1-8(2-4-9)5-11(13)6-10(14)7-11/h1-4,10H,5-7,14H2
InChIKeyGWSJBNPVIZDFHN-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112563919
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 107889770
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387
1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene
CID 176717055
1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine
CID 68892096
1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine
CID 20519775
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64516003
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chlorobenzene
CID 66049339
4-[(1-fluorocyclopropyl)methyl]aniline
CID 84717040
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
CID 134855306

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine (CID 112563994) is 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine is NC1CC(F)(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine?
The InChIKey is GWSJBNPVIZDFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-9-3-1-8(2-4-9)5-11(13)6-10(14)7-11/h1-4,10H,5-7,14H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine?
3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine has a molecular weight of 213.68 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112563994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).