[2-(2,2-difluorocyclobutyl)phenyl]methanamine

C11H13F2N — CID 115020974

IUPAC[2-(2,2-difluorocyclobutyl)phenyl]methanamine
SMILESNCc1ccccc1C1CCC1(F)F
InChIInChI=1S/C11H13F2N/c12-11(13)6-5-10(11)9-4-2-1-3-8(9)7-14/h1-4,10H,5-7,14H2
InChIKeyWBNISIPURSUIEO-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.66
Rot. Bonds2

About [2-(2,2-difluorocyclobutyl)phenyl]methanamine

[2-(2,2-difluorocyclobutyl)phenyl]methanamine (PubChem CID 115020974) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is [2-(2,2-difluorocyclobutyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2,2-difluorocyclobutyl)phenyl]methanamine
PubChem CID115020974
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name[2-(2,2-difluorocyclobutyl)phenyl]methanamine
SMILESNCc1ccccc1C1CCC1(F)F
InChIInChI=1S/C11H13F2N/c12-11(13)6-5-10(11)9-4-2-1-3-8(9)7-14/h1-4,10H,5-7,14H2
InChIKeyWBNISIPURSUIEO-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluorocyclobutyl)phenyl]methanamine?
The IUPAC name of [2-(2,2-difluorocyclobutyl)phenyl]methanamine (CID 115020974) is [2-(2,2-difluorocyclobutyl)phenyl]methanamine.
What is the SMILES notation for [2-(2,2-difluorocyclobutyl)phenyl]methanamine?
The canonical SMILES for [2-(2,2-difluorocyclobutyl)phenyl]methanamine is NCc1ccccc1C1CCC1(F)F.
What is the InChIKey of [2-(2,2-difluorocyclobutyl)phenyl]methanamine?
The InChIKey is WBNISIPURSUIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-11(13)6-5-10(11)9-4-2-1-3-8(9)7-14/h1-4,10H,5-7,14H2.
What are the key properties of [2-(2,2-difluorocyclobutyl)phenyl]methanamine?
[2-(2,2-difluorocyclobutyl)phenyl]methanamine has a molecular weight of 197.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluorocyclobutyl)phenyl]methanamine is sourced from PubChem (CID 115020974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).