3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole

C14H17F2NO — CID 106986354

IUPAC3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole
SMILESFC(F)Oc1ccc2c(c1)C(CC1CCC1)CN2
InChIInChI=1S/C14H17F2NO/c15-14(16)18-11-4-5-13-12(7-11)10(8-17-13)6-9-2-1-3-9/h4-5,7,9-10,14,17H,1-3,6,8H2
InChIKeyNFIMIJVCQJABQF-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.99
Rot. Bonds4

About 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole

3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole (PubChem CID 106986354) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole
PubChem CID106986354
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole
SMILESFC(F)Oc1ccc2c(c1)C(CC1CCC1)CN2
InChIInChI=1S/C14H17F2NO/c15-14(16)18-11-4-5-13-12(7-11)10(8-17-13)6-9-2-1-3-9/h4-5,7,9-10,14,17H,1-3,6,8H2
InChIKeyNFIMIJVCQJABQF-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole
CID 106986180
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
CID 106985998
3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one
CID 106987125
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole
CID 169244438
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502
3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 106986352
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen
CID 169244365
3-[(1-methylpyrrolidin-2-yl)methyl]-5-(oxan-4-yloxy)-2,3-dihydro-1H-indole
CID 169244525

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole (CID 106986354) is 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole is FC(F)Oc1ccc2c(c1)C(CC1CCC1)CN2.
What is the InChIKey of 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole?
The InChIKey is NFIMIJVCQJABQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-14(16)18-11-4-5-13-12(7-11)10(8-17-13)6-9-2-1-3-9/h4-5,7,9-10,14,17H,1-3,6,8H2.
What are the key properties of 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole?
3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole has a molecular weight of 253.29 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).