6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid

C18H18F2O2 — CID 162754764

IUPAC6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid
SMILESO=C(O)C12CC3C(C(F)F)C4CC(c5ccccc5)(C1)C34C2
InChIInChI=1S/C18H18F2O2/c19-14(20)13-11-6-16(15(21)22)8-17(10-4-2-1-3-5-10)7-12(13)18(11,17)9-16/h1-5,11-14H,6-9H2,(H,21,22)
InChIKeyKOEKTXBSDDGNNB-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.71
Rot. Bonds3

About 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid

6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid (PubChem CID 162754764) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid
PubChem CID162754764
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid
SMILESO=C(O)C12CC3C(C(F)F)C4CC(c5ccccc5)(C1)C34C2
InChIInChI=1S/C18H18F2O2/c19-14(20)13-11-6-16(15(21)22)8-17(10-4-2-1-3-5-10)7-12(13)18(11,17)9-16/h1-5,11-14H,6-9H2,(H,21,22)
InChIKeyKOEKTXBSDDGNNB-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-Benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 62739717
(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-[(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
[1-(4-Methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate
CID 91384660
2-[8-(4-Fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid
CID 118370547
2-[10-Carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636511
2-[4-(4-Fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636550

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid (CID 162754764) is 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid is O=C(O)C12CC3C(C(F)F)C4CC(c5ccccc5)(C1)C34C2.
What is the InChIKey of 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid?
The InChIKey is KOEKTXBSDDGNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O2/c19-14(20)13-11-6-16(15(21)22)8-17(10-4-2-1-3-5-10)7-12(13)18(11,17)9-16/h1-5,11-14H,6-9H2,(H,21,22).
What are the key properties of 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid?
6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid has a molecular weight of 304.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid is sourced from PubChem (CID 162754764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).