(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone

C17H20FNO — CID 107176683

IUPAC(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESCC1(C)CCCCC1C(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C17H20FNO/c1-17(2)9-4-3-6-12(17)16(20)11-10-19-14-8-5-7-13(18)15(11)14/h5,7-8,10,12,19H,3-4,6,9H2,1-2H3
InChIKeyGVNFONDCPOUDGU-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.71
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone

(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone (PubChem CID 107176683) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
PubChem CID107176683
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESCC1(C)CCCCC1C(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C17H20FNO/c1-17(2)9-4-3-6-12(17)16(20)11-10-19-14-8-5-7-13(18)15(11)14/h5,7-8,10,12,19H,3-4,6,9H2,1-2H3
InChIKeyGVNFONDCPOUDGU-UHFFFAOYSA-N
XLogP4.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
CID 82792286
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176419
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
(5-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176382
(6-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176496
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637
(4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 82792647
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone (CID 107176683) is (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone is CC1(C)CCCCC1C(=O)c1c[nH]c2cccc(F)c12.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone?
The InChIKey is GVNFONDCPOUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-17(2)9-4-3-6-12(17)16(20)11-10-19-14-8-5-7-13(18)15(11)14/h5,7-8,10,12,19H,3-4,6,9H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone?
(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone has a molecular weight of 273.35 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107176683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).