(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone

C16H18FNO — CID 107176420

IUPAC(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCC1(C)CCCC1C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H18FNO/c1-16(2)7-3-4-13(16)15(19)12-9-18-14-8-10(17)5-6-11(12)14/h5-6,8-9,13,18H,3-4,7H2,1-2H3
InChIKeyRSAYWPAULJPJOR-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.32
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone

(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 107176420) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID107176420
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCC1(C)CCCC1C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H18FNO/c1-16(2)7-3-4-13(16)15(19)12-9-18-14-8-10(17)5-6-11(12)14/h5-6,8-9,13,18H,3-4,7H2,1-2H3
InChIKeyRSAYWPAULJPJOR-UHFFFAOYSA-N
XLogP4.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176496
(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176419
(5-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176382
(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 104518074
(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 138596030
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 66809624

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone (CID 107176420) is (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone is CC1(C)CCCC1C(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is RSAYWPAULJPJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-16(2)7-3-4-13(16)15(19)12-9-18-14-8-10(17)5-6-11(12)14/h5-6,8-9,13,18H,3-4,7H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone?
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone has a molecular weight of 259.32 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107176420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).