3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole

C14H18FN — CID 106986001

IUPAC3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cccc2c1NCC2CC1CCCC1
InChIInChI=1S/C14H18FN/c15-13-7-3-6-12-11(9-16-14(12)13)8-10-4-1-2-5-10/h3,6-7,10-11,16H,1-2,4-5,8-9H2
InChIKeyDQJSAVVAGHGNJS-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.92
Rot. Bonds2

About 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole

3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole (PubChem CID 106986001) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
PubChem CID106986001
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cccc2c1NCC2CC1CCCC1
InChIInChI=1S/C14H18FN/c15-13-7-3-6-12-11(9-16-14(12)13)8-10-4-1-2-5-10/h3,6-7,10-11,16H,1-2,4-5,8-9H2
InChIKeyDQJSAVVAGHGNJS-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 106986352
8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460976
5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718717
ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate
CID 155893825
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
CID 106985998
7-fluoro-3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106985949
3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one
CID 106987028
N-cyclopropyl-8-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 105459056
8-fluoro-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 105479525
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
1-cyclopentyl-2-fluorobenzene
CID 53415938
[(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol
CID 42333638

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole (CID 106986001) is 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole is Fc1cccc2c1NCC2CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole?
The InChIKey is DQJSAVVAGHGNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c15-13-7-3-6-12-11(9-16-14(12)13)8-10-4-1-2-5-10/h3,6-7,10-11,16H,1-2,4-5,8-9H2.
What are the key properties of 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole?
3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole has a molecular weight of 219.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).