[3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid

C8H14F2N2O2 — CID 151415266

IUPAC[3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid
SMILESCNCCC1(NC(=O)O)CC(F)(F)C1
InChIInChI=1S/C8H14F2N2O2/c1-11-3-2-7(12-6(13)14)4-8(9,10)5-7/h11-12H,2-5H2,1H3,(H,13,14)
InChIKeyOZJOSKSWNKJOLC-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.03
Rot. Bonds4

About [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid

[3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid (PubChem CID 151415266) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid
PubChem CID151415266
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name[3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid
SMILESCNCCC1(NC(=O)O)CC(F)(F)C1
InChIInChI=1S/C8H14F2N2O2/c1-11-3-2-7(12-6(13)14)4-8(9,10)5-7/h11-12H,2-5H2,1H3,(H,13,14)
InChIKeyOZJOSKSWNKJOLC-UHFFFAOYSA-N
XLogP1.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid?
The IUPAC name of [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid (CID 151415266) is [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid?
The canonical SMILES for [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid is CNCCC1(NC(=O)O)CC(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid?
The InChIKey is OZJOSKSWNKJOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-11-3-2-7(12-6(13)14)4-8(9,10)5-7/h11-12H,2-5H2,1H3,(H,13,14).
What are the key properties of [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid?
[3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid has a molecular weight of 208.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-[2-(methylamino)ethyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 151415266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).