N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide

C14H22FNO2 — CID 58376742

IUPACN-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCCCN(C(=O)C1CC12CCOCC2)C1CC1F
InChIInChI=1S/C14H22FNO2/c1-2-5-16(12-8-11(12)15)13(17)10-9-14(10)3-6-18-7-4-14/h10-12H,2-9H2,1H3
InChIKeyJAGAAQQYNMMXNB-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.15
Rot. Bonds4

About N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide

N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 58376742) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID58376742
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCCCN(C(=O)C1CC12CCOCC2)C1CC1F
InChIInChI=1S/C14H22FNO2/c1-2-5-16(12-8-11(12)15)13(17)10-9-14(10)3-6-18-7-4-14/h10-12H,2-9H2,1H3
InChIKeyJAGAAQQYNMMXNB-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide (CID 58376742) is N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide is CCCN(C(=O)C1CC12CCOCC2)C1CC1F.
What is the InChIKey of N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is JAGAAQQYNMMXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-2-5-16(12-8-11(12)15)13(17)10-9-14(10)3-6-18-7-4-14/h10-12H,2-9H2,1H3.
What are the key properties of N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide?
N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 255.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclopropyl)-N-propyl-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 58376742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).