[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone

C14H15FO — CID 99719002

IUPAC[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H15FO/c15-13-4-2-1-3-11(13)14(16)12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8H2/t9-,10+,12-/m0/s1
InChIKeyPTUQUROZVZXYQT-UMNHJUIQSA-N
MW218.27 g/mol
LogP3.44
Rot. Bonds2

About [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone

[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone (PubChem CID 99719002) has the molecular formula C14H15FO and a molecular weight of 218.27 g/mol. Its IUPAC name is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
PubChem CID99719002
Molecular FormulaC14H15FO
Molecular Weight218.27 g/mol
Exact Mass218.11
IUPAC Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H15FO/c15-13-4-2-1-3-11(13)14(16)12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8H2/t9-,10+,12-/m0/s1
InChIKeyPTUQUROZVZXYQT-UMNHJUIQSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(2-fluorophenyl)methanone
CID 12768266
2-bicyclo[2.2.1]heptanyl-(2-bromo-3,4-difluorophenyl)methanone
CID 114245834
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
CID 4149105
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47014220
2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
CID 61365916
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147
4-(2-fluorobenzoyl)piperidine-1-carbaldehyde
CID 53415342
phenyl (1S,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 170698854
2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106876825
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
CID 114973514
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone?
The IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone (CID 99719002) is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone?
The InChIKey is PTUQUROZVZXYQT-UMNHJUIQSA-N. The full InChI is InChI=1S/C14H15FO/c15-13-4-2-1-3-11(13)14(16)12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8H2/t9-,10+,12-/m0/s1.
What are the key properties of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone?
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone has a molecular weight of 218.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 99719002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).