1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine

C10H11ClFN — CID 105452538

IUPAC1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine
SMILESNC1(c2ccccc2Cl)CC(F)C1
InChIInChI=1S/C10H11ClFN/c11-9-4-2-1-3-8(9)10(13)5-7(12)6-10/h1-4,7H,5-6,13H2
InChIKeyIFPVFIBEHGUUKG-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.63
Rot. Bonds1

About 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine

1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine (PubChem CID 105452538) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine
PubChem CID105452538
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine
SMILESNC1(c2ccccc2Cl)CC(F)C1
InChIInChI=1S/C10H11ClFN/c11-9-4-2-1-3-8(9)10(13)5-7(12)6-10/h1-4,7H,5-6,13H2
InChIKeyIFPVFIBEHGUUKG-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-(2-chlorophenyl)cyclobutan-1-one
CID 115020473
1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
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1-(2-chlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514342
2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine
CID 65006357
2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine
CID 161134756
1-[1-(2-chlorophenyl)cyclopropyl]cyclopropan-1-amine
CID 83673850
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
CID 64761387
1-(2-chlorophenyl)-2-methylcyclobutan-1-amine
CID 66431566
[(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine
CID 105478757
3-amino-3-(2,6-dichlorophenyl)cyclobutan-1-ol
CID 125458633
4-(1-amino-3-fluorocyclobutyl)phenol
CID 105439372
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine (CID 105452538) is 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine is NC1(c2ccccc2Cl)CC(F)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine?
The InChIKey is IFPVFIBEHGUUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-9-4-2-1-3-8(9)10(13)5-7(12)6-10/h1-4,7H,5-6,13H2.
What are the key properties of 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine?
1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine has a molecular weight of 199.66 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 105452538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).