3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid

C16H18FNO3 — CID 103953312

IUPAC3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C16H18FNO3/c17-13-5-4-10-6-7-18(14(10)9-13)15(19)11-2-1-3-12(8-11)16(20)21/h4-5,9,11-12H,1-3,6-8H2,(H,20,21)
InChIKeyYQKJRJNMBKKXCT-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.61
Rot. Bonds2

About 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid

3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 103953312) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID103953312
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C16H18FNO3/c17-13-5-4-10-6-7-18(14(10)9-13)15(19)11-2-1-3-12(8-11)16(20)21/h4-5,9,11-12H,1-3,6-8H2,(H,20,21)
InChIKeyYQKJRJNMBKKXCT-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
CID 103499981
[2-(aminomethyl)cyclopentyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103822177
(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103810197
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 113235710
1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 103500021
(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119310101
(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 103822175
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
1-(cyclopentanecarbonyl)-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635059
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid (CID 103953312) is 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)N2CCc3ccc(F)cc32)C1.
What is the InChIKey of 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is YQKJRJNMBKKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-13-5-4-10-6-7-18(14(10)9-13)15(19)11-2-1-3-12(8-11)16(20)21/h4-5,9,11-12H,1-3,6-8H2,(H,20,21).
What are the key properties of 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid?
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103953312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).