2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine

C11H13F2N — CID 82935009

IUPAC2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CCC1Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(8)14/h1,3,6,8,11H,2,4-5,14H2
InChIKeyFQDIINHTBMNBOY-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.24
Rot. Bonds2

About 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine

2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine (PubChem CID 82935009) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine
PubChem CID82935009
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CCC1Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(8)14/h1,3,6,8,11H,2,4-5,14H2
InChIKeyFQDIINHTBMNBOY-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 103041667
5-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 66601561
1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 82934724
2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
CID 114935142
trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993220
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63401105
2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
CID 61382478
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 92754817
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1,2-difluorobenzene
CID 82930424
2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81013130

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine (CID 82935009) is 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine is NC1CCC1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is FQDIINHTBMNBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(8)14/h1,3,6,8,11H,2,4-5,14H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine?
2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 82935009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).