N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide

C10H18FNO — CID 162747678

IUPACN-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(F)CC1)C(C)(C)C
InChIInChI=1S/C10H18FNO/c1-7(9(2,3)4)12-8(13)10(11)5-6-10/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyNWRCIVXHBPKKHX-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.04
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide

N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide (PubChem CID 162747678) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
PubChem CID162747678
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(F)CC1)C(C)(C)C
InChIInChI=1S/C10H18FNO/c1-7(9(2,3)4)12-8(13)10(11)5-6-10/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyNWRCIVXHBPKKHX-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide (CID 162747678) is N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide is CC(NC(=O)C1(F)CC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The InChIKey is NWRCIVXHBPKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(9(2,3)4)12-8(13)10(11)5-6-10/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide has a molecular weight of 187.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 162747678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).