N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C14H14F4N2O2 — CID 91788242

IUPACN-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H14F4N2O2/c15-13(16)14(17,18)8-22-7-12(21)20-6-9-1-2-10-3-4-19-11(10)5-9/h1-5,13,19H,6-8H2,(H,20,21)
InChIKeyNHXIXDNYTNKZIR-UHFFFAOYSA-N
MW318.27 g/mol
LogP2.70
Rot. Bonds7

About N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91788242) has the molecular formula C14H14F4N2O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91788242
Molecular FormulaC14H14F4N2O2
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC NameN-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H14F4N2O2/c15-13(16)14(17,18)8-22-7-12(21)20-6-9-1-2-10-3-4-19-11(10)5-9/h1-5,13,19H,6-8H2,(H,20,21)
InChIKeyNHXIXDNYTNKZIR-UHFFFAOYSA-N
XLogP2.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-Acetyltryptamine
CID 70547
5-Methoxycarbonylamino-N-acetyltryptamine
CID 4284525
N-(2-(1H-Indol-3-Yl)Ethyl)Propanamide
CID 216303
N-[2-(1H-Indol-3-yl)ethyl]-N-methylacetamide
CID 383154
N-(2-(5-fluoro-1H-indol-3-yl)ethyl)acetamide
CID 699127
2,2,2-Trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 384618
N-[2-(1H-indol-3-yl)ethyl]formamide
CID 1712332
4-(1H-indol-3-yl)-1-(morpholin-4-yl)butan-1-one
CID 645040
4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione
CID 2737834
N-[2-(6-Fluoro-1H-indol-3-yl)-ethyl]-acetamide
CID 10751398
9-[2-(3-Indolyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20537368
(2R)-N-cyclopropyl-N-{[1-(3-methoxypropyl)-1H-indol-6-yl]methyl}morpholin-2-carboxamide
CID 25124583

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91788242) is N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is O=C(COCC(F)(F)C(F)F)NCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is NHXIXDNYTNKZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O2/c15-13(16)14(17,18)8-22-7-12(21)20-6-9-1-2-10-3-4-19-11(10)5-9/h1-5,13,19H,6-8H2,(H,20,21).
What are the key properties of N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 318.27 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91788242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).