2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid

C19H17F3O4 — CID 58934921

IUPAC2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid
SMILESO=C(O)C1=Cc2cc3cc(CC4CCCC4)oc3cc2OC1C(F)(F)F
InChIInChI=1S/C19H17F3O4/c20-19(21,22)17-14(18(23)24)8-12-6-11-7-13(5-10-3-1-2-4-10)25-15(11)9-16(12)26-17/h6-10,17H,1-5H2,(H,23,24)
InChIKeyWYBGKNFPPFOUMD-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.96
Rot. Bonds3

About 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid

2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid (PubChem CID 58934921) has the molecular formula C19H17F3O4 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid
PubChem CID58934921
Molecular FormulaC19H17F3O4
Molecular Weight366.34 g/mol
Exact Mass366.11
IUPAC Name2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid
SMILESO=C(O)C1=Cc2cc3cc(CC4CCCC4)oc3cc2OC1C(F)(F)F
InChIInChI=1S/C19H17F3O4/c20-19(21,22)17-14(18(23)24)8-12-6-11-7-13(5-10-3-1-2-4-10)25-15(11)9-16(12)26-17/h6-10,17H,1-5H2,(H,23,24)
InChIKeyWYBGKNFPPFOUMD-UHFFFAOYSA-N
XLogP4.96
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934706
6-chloro-7-(2-cyclohexylethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142947240
6-chloro-7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934660
6-chloro-7-cyclopropyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934979
(2R)-6,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 124584837
6-chloro-7-pyrrolidin-1-yl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934895
6-chloro-7-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142971023
ethane;6-ethyl-7-hydroxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 142947320
7-pyrrolidin-1-yl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934939
6-chloro-7-propan-2-yl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 10471276
6-sulfanyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 138479110
7-benzyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142947310

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid (CID 58934921) is 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid is O=C(O)C1=Cc2cc3cc(CC4CCCC4)oc3cc2OC1C(F)(F)F.
What is the InChIKey of 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid?
The InChIKey is WYBGKNFPPFOUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O4/c20-19(21,22)17-14(18(23)24)8-12-6-11-7-13(5-10-3-1-2-4-10)25-15(11)9-16(12)26-17/h6-10,17H,1-5H2,(H,23,24).
What are the key properties of 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid?
2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid has a molecular weight of 366.34 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-7-(trifluoromethyl)-7H-furo[3,2-g]chromene-6-carboxylic acid is sourced from PubChem (CID 58934921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).