N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C14H22FNO2 — CID 169221443

IUPACN-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1(F)CCOCC1)C1CC2CCC1C2
InChIInChI=1S/C14H22FNO2/c15-14(3-5-18-6-4-14)9-16-13(17)12-8-10-1-2-11(12)7-10/h10-12H,1-9H2,(H,16,17)
InChIKeyOCURSQJIXFGTOJ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.06
Rot. Bonds3

About N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 169221443) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID169221443
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1(F)CCOCC1)C1CC2CCC1C2
InChIInChI=1S/C14H22FNO2/c15-14(3-5-18-6-4-14)9-16-13(17)12-8-10-1-2-11(12)7-10/h10-12H,1-9H2,(H,16,17)
InChIKeyOCURSQJIXFGTOJ-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 169221443) is N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC1(F)CCOCC1)C1CC2CCC1C2.
What is the InChIKey of N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OCURSQJIXFGTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c15-14(3-5-18-6-4-14)9-16-13(17)12-8-10-1-2-11(12)7-10/h10-12H,1-9H2,(H,16,17).
What are the key properties of N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 255.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 169221443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).