N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide

C9H13F2NO — CID 130291730

IUPACN-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2CC(F)(F)C2)CC1
InChIInChI=1S/C9H13F2NO/c1-8(2-3-8)7(13)12-6-4-9(10,11)5-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyXPCSJEJSTGRWDY-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.70
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide

N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 130291730) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide
PubChem CID130291730
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC NameN-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2CC(F)(F)C2)CC1
InChIInChI=1S/C9H13F2NO/c1-8(2-3-8)7(13)12-6-4-9(10,11)5-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyXPCSJEJSTGRWDY-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide (CID 130291730) is N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NC2CC(F)(F)C2)CC1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is XPCSJEJSTGRWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-8(2-3-8)7(13)12-6-4-9(10,11)5-6/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide?
N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 189.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130291730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).