2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide

C11H13F2NO2 — CID 126791120

IUPAC2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccoc1CNC(=O)C1(C)CC1(F)F
InChIInChI=1S/C11H13F2NO2/c1-7-3-4-16-8(7)5-14-9(15)10(2)6-11(10,12)13/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyRSFCZDIFOYMHJQ-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.25
Rot. Bonds3

About 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide

2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 126791120) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID126791120
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccoc1CNC(=O)C1(C)CC1(F)F
InChIInChI=1S/C11H13F2NO2/c1-7-3-4-16-8(7)5-14-9(15)10(2)6-11(10,12)13/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyRSFCZDIFOYMHJQ-UHFFFAOYSA-N
XLogP2.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
CID 130597720
(3-methylfuran-2-yl)methylthiourea
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CID 139009347
(E)-3-[(3-methylfuran-2-yl)methylamino]prop-2-enoic acid
CID 130597781
N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103724331
(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide
CID 164637886
methyl 2,2-dimethyl-3-[(3-methylfuran-2-yl)methylamino]propanoate
CID 75501532
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide
CID 166230669
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138049695
1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 115654205

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide (CID 126791120) is 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide is Cc1ccoc1CNC(=O)C1(C)CC1(F)F.
What is the InChIKey of 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is RSFCZDIFOYMHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7-3-4-16-8(7)5-14-9(15)10(2)6-11(10,12)13/h3-4H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide?
2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126791120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).