7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole

C18H18FNO — CID 114523652

IUPAC7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
SMILESFC(c1cccc(OC2CC2)c1)c1cccc2c1NCC2
InChIInChI=1S/C18H18FNO/c19-17(16-6-2-3-12-9-10-20-18(12)16)13-4-1-5-15(11-13)21-14-7-8-14/h1-6,11,14,17,20H,7-10H2
InChIKeyVPKSMWDLIOHVFN-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.25
Rot. Bonds4

About 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole

7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole (PubChem CID 114523652) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
PubChem CID114523652
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
SMILESFC(c1cccc(OC2CC2)c1)c1cccc2c1NCC2
InChIInChI=1S/C18H18FNO/c19-17(16-6-2-3-12-9-10-20-18(12)16)13-4-1-5-15(11-13)21-14-7-8-14/h1-6,11,14,17,20H,7-10H2
InChIKeyVPKSMWDLIOHVFN-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 116507150
7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole
CID 113394357
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426
7-cyclohexyloxy-2,3-dihydro-1H-indole
CID 115074855
7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 106647083
5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
CID 114522456
8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114522671
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 113394348
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 102648261

Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole (CID 114523652) is 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole is FC(c1cccc(OC2CC2)c1)c1cccc2c1NCC2.
What is the InChIKey of 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The InChIKey is VPKSMWDLIOHVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17(16-6-2-3-12-9-10-20-18(12)16)13-4-1-5-15(11-13)21-14-7-8-14/h1-6,11,14,17,20H,7-10H2.
What are the key properties of 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole has a molecular weight of 283.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114523652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).