4-fluoroadamantan-2-one

C10H13FO — CID 556354

IUPAC4-fluoroadamantan-2-one
SMILESO=C1C2CC3CC(C2)C(F)C1C3
InChIInChI=1S/C10H13FO/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9H,1-4H2
InChIKeyBHILRXZGAUWXBN-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.96
Rot. Bonds

About 4-fluoroadamantan-2-one

4-fluoroadamantan-2-one (PubChem CID 556354) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-fluoroadamantan-2-one.

Molecular Properties

Compound Name4-fluoroadamantan-2-one
PubChem CID556354
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name4-fluoroadamantan-2-one
SMILESO=C1C2CC3CC(C2)C(F)C1C3
InChIInChI=1S/C10H13FO/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9H,1-4H2
InChIKeyBHILRXZGAUWXBN-UHFFFAOYSA-N
XLogP1.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Adamantanone
CID 64151
Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone
CID 123126
1-(Adamantan-1-yl)propan-2-one
CID 3686351
Tricyclo(3.3.1.13,7)decane-2,6-dione
CID 142368
2-Acetyladamantane
CID 11298285
5-Fluoroadamantan-2-one
CID 12653455
1-(1-Adamantyl)propan-1-one
CID 526924
Adamantane-1-carbonyl fluoride
CID 13401042
3-Adamantan-1-yl-butan-2-one
CID 6422908
2,4-Adamantanedione
CID 528350
1-Fluorobicyclo[3.3.1]nonan-3-one
CID 15939708
1-(1-Adamantyl)-2,2-difluoroethanone
CID 11535851

Frequently Asked Questions

What is the IUPAC name of 4-fluoroadamantan-2-one?
The IUPAC name of 4-fluoroadamantan-2-one (CID 556354) is 4-fluoroadamantan-2-one.
What is the SMILES notation for 4-fluoroadamantan-2-one?
The canonical SMILES for 4-fluoroadamantan-2-one is O=C1C2CC3CC(C2)C(F)C1C3.
What is the InChIKey of 4-fluoroadamantan-2-one?
The InChIKey is BHILRXZGAUWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9H,1-4H2.
What are the key properties of 4-fluoroadamantan-2-one?
4-fluoroadamantan-2-one has a molecular weight of 168.21 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoroadamantan-2-one is sourced from PubChem (CID 556354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).