5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole

C11H14FN — CID 82276851

IUPAC5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)C1Cc2cc(F)ccc2N1
InChIInChI=1S/C11H14FN/c1-7(2)11-6-8-5-9(12)3-4-10(8)13-11/h3-5,7,11,13H,6H2,1-2H3
InChIKeyPHRNFNLVKWHLPE-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.82
Rot. Bonds1

About 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole

5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 82276851) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID82276851
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)C1Cc2cc(F)ccc2N1
InChIInChI=1S/C11H14FN/c1-7(2)11-6-8-5-9(12)3-4-10(8)13-11/h3-5,7,11,13H,6H2,1-2H3
InChIKeyPHRNFNLVKWHLPE-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole
CID 89025776
(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole
CID 135034586
7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84630796
(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline
CID 42599529
5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole
CID 84664966
5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 119086663
(2R,4S)-7-fluoro-2-[(E)-pent-1-enyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 139062278
2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
CID 84659924
2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 89069978
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604
1-(5-ethyl-2,3-dihydro-1H-indol-2-yl)-N-methylethanamine
CID 83860511
5-fluoro-N-(4-methoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 71066395

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole (CID 82276851) is 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole is CC(C)C1Cc2cc(F)ccc2N1.
What is the InChIKey of 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is PHRNFNLVKWHLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-7(2)11-6-8-5-9(12)3-4-10(8)13-11/h3-5,7,11,13H,6H2,1-2H3.
What are the key properties of 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole?
5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 179.24 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 82276851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).