N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide

C9H14FNO — CID 15811994

IUPACN-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H]2CC[C@H]1[C@H]2F
InChIInChI=1S/C9H14FNO/c1-5(12)11-8-4-6-2-3-7(8)9(6)10/h6-9H,2-4H2,1H3,(H,11,12)/t6-,7+,8-,9-/m0/s1
InChIKeySANMOOPUKMZKHG-KZVJFYERSA-N
MW171.21 g/mol
LogP1.26
Rot. Bonds1

About N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide

N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 15811994) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID15811994
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC NameN-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H]2CC[C@H]1[C@H]2F
InChIInChI=1S/C9H14FNO/c1-5(12)11-8-4-6-2-3-7(8)9(6)10/h6-9H,2-4H2,1H3,(H,11,12)/t6-,7+,8-,9-/m0/s1
InChIKeySANMOOPUKMZKHG-KZVJFYERSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide (CID 15811994) is N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide is CC(=O)N[C@H]1C[C@@H]2CC[C@H]1[C@H]2F.
What is the InChIKey of N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is SANMOOPUKMZKHG-KZVJFYERSA-N. The full InChI is InChI=1S/C9H14FNO/c1-5(12)11-8-4-6-2-3-7(8)9(6)10/h6-9H,2-4H2,1H3,(H,11,12)/t6-,7+,8-,9-/m0/s1.
What are the key properties of N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide?
N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 171.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4S,7S)-7-fluoro-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 15811994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).