2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine

C11H13F2N — CID 114935142

IUPAC2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CCC1Cc1c(F)cccc1F
InChIInChI=1S/C11H13F2N/c12-9-2-1-3-10(13)8(9)6-7-4-5-11(7)14/h1-3,7,11H,4-6,14H2
InChIKeyRNTBMNNPZCQGTQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.24
Rot. Bonds2

About 2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine

2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine (PubChem CID 114935142) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
PubChem CID114935142
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CCC1Cc1c(F)cccc1F
InChIInChI=1S/C11H13F2N/c12-9-2-1-3-10(13)8(9)6-7-4-5-11(7)14/h1-3,7,11H,4-6,14H2
InChIKeyRNTBMNNPZCQGTQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine (CID 114935142) is 2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine is NC1CCC1Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is RNTBMNNPZCQGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/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-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine?
2-[(2,6-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-[(2,6-difluorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 114935142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).