adamantane;(4-fluorophenyl)-phenylmethanone

C23H25FO — CID 174728613

IUPACadamantane;(4-fluorophenyl)-phenylmethanone
SMILESC1C2CC3CC1CC(C2)C3.O=C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H9FO.C10H16/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-9H;7-10H,1-6H2
InChIKeyBFYRQUQGLOFTTI-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.89
Rot. Bonds2

About adamantane;(4-fluorophenyl)-phenylmethanone

adamantane;(4-fluorophenyl)-phenylmethanone (PubChem CID 174728613) has the molecular formula C23H25FO and a molecular weight of 336.45 g/mol. Its IUPAC name is adamantane;(4-fluorophenyl)-phenylmethanone.

Molecular Properties

Compound Nameadamantane;(4-fluorophenyl)-phenylmethanone
PubChem CID174728613
Molecular FormulaC23H25FO
Molecular Weight336.45 g/mol
Exact Mass336.19
IUPAC Nameadamantane;(4-fluorophenyl)-phenylmethanone
SMILESC1C2CC3CC1CC(C2)C3.O=C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H9FO.C10H16/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-9H;7-10H,1-6H2
InChIKeyBFYRQUQGLOFTTI-UHFFFAOYSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-phenylmethanone
CID 161464622
diphenylmethanone;4-fluoroaniline
CID 174706224
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone
CID 3102
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
CID 95049071
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of adamantane;(4-fluorophenyl)-phenylmethanone?
The IUPAC name of adamantane;(4-fluorophenyl)-phenylmethanone (CID 174728613) is adamantane;(4-fluorophenyl)-phenylmethanone.
What is the SMILES notation for adamantane;(4-fluorophenyl)-phenylmethanone?
The canonical SMILES for adamantane;(4-fluorophenyl)-phenylmethanone is C1C2CC3CC1CC(C2)C3.O=C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of adamantane;(4-fluorophenyl)-phenylmethanone?
The InChIKey is BFYRQUQGLOFTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO.C10H16/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-9H;7-10H,1-6H2.
What are the key properties of adamantane;(4-fluorophenyl)-phenylmethanone?
adamantane;(4-fluorophenyl)-phenylmethanone has a molecular weight of 336.45 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;(4-fluorophenyl)-phenylmethanone is sourced from PubChem (CID 174728613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).