2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid

C18H17FO3 — CID 143636577

IUPAC2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC24C(CC14)C3=O
InChIInChI=1S/C18H17FO3/c19-11-3-1-10(2-4-11)17(8-15(20)21)13-5-9-7-18(13)12(16(9)22)6-14(17)18/h1-4,9,12-14H,5-8H2,(H,20,21)
InChIKeyOTQZWGOFUZZEOP-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.78
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid

2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid (PubChem CID 143636577) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
PubChem CID143636577
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3CC24C(CC14)C3=O
InChIInChI=1S/C18H17FO3/c19-11-3-1-10(2-4-11)17(8-15(20)21)13-5-9-7-18(13)12(16(9)22)6-14(17)18/h1-4,9,12-14H,5-8H2,(H,20,21)
InChIKeyOTQZWGOFUZZEOP-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-Fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 24945240
2-[3-(4-Fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
CID 24945242
Endiandric acid C
CID 72710726
(1S,3S,6aR,6bR,7R)-1-[(2E,4E)-5-Phenylpenta-2,4-dien-1-yl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid
CID 20055088
2-[8-(4-Fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid
CID 59336879
2-[8-(4-Fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid
CID 59337011
2-[8-(4-Fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid
CID 59442480
2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
CID 70938595
(1R,3R,5R)-8-(4-propan-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]bicyclo[3.2.1]octane-3-carboxylic acid
CID 71122996
2-[8-(4-Fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid
CID 118370547
3-[(13S,15R)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]propanoic acid
CID 137354616
3-[(9S,14S)-4-fluoro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]propanoic acid
CID 142489816

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid (CID 143636577) is 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CC3CC24C(CC14)C3=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The InChIKey is OTQZWGOFUZZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3/c19-11-3-1-10(2-4-11)17(8-15(20)21)13-5-9-7-18(13)12(16(9)22)6-14(17)18/h1-4,9,12-14H,5-8H2,(H,20,21).
What are the key properties of 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid has a molecular weight of 300.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid is sourced from PubChem (CID 143636577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).