1-(2,3-difluorophenyl)cyclobutan-1-amine

C10H11F2N — CID 83412499

IUPAC1-(2,3-difluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(F)c2F)CCC1
InChIInChI=1S/C10H11F2N/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2
InChIKeyBKMPZLYVLHWZSB-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.30
Rot. Bonds1

About 1-(2,3-difluorophenyl)cyclobutan-1-amine

1-(2,3-difluorophenyl)cyclobutan-1-amine (PubChem CID 83412499) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)cyclobutan-1-amine
PubChem CID83412499
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name1-(2,3-difluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(F)c2F)CCC1
InChIInChI=1S/C10H11F2N/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2
InChIKeyBKMPZLYVLHWZSB-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 24274287
1-(3-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259864
1-Phenylcyclopropylamine
CID 194548
3-Phenylpentan-3-amine hydrochloride
CID 45036910
Cumylamine
CID 68509
1-Phenylcyclopentylamine
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1-Phenyl-cyclopropylamine
CID 194549
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CID 123063
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CID 3035993

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)cyclobutan-1-amine (CID 83412499) is 1-(2,3-difluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)cyclobutan-1-amine is NC1(c2cccc(F)c2F)CCC1.
What is the InChIKey of 1-(2,3-difluorophenyl)cyclobutan-1-amine?
The InChIKey is BKMPZLYVLHWZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-8-4-1-3-7(9(8)12)10(13)5-2-6-10/h1,3-4H,2,5-6,13H2.
What are the key properties of 1-(2,3-difluorophenyl)cyclobutan-1-amine?
1-(2,3-difluorophenyl)cyclobutan-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 83412499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).