2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine

C11H12F3NO — CID 90878501

IUPAC2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine
SMILESNCCc1c(F)c(F)c(F)c2c1CCCO2
InChIInChI=1S/C11H12F3NO/c12-8-6(3-4-15)7-2-1-5-16-11(7)10(14)9(8)13/h1-5,15H2
InChIKeyCSROVPQZQDRROH-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.93
Rot. Bonds2

About 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine

2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine (PubChem CID 90878501) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine
PubChem CID90878501
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine
SMILESNCCc1c(F)c(F)c(F)c2c1CCCO2
InChIInChI=1S/C11H12F3NO/c12-8-6(3-4-15)7-2-1-5-16-11(7)10(14)9(8)13/h1-5,15H2
InChIKeyCSROVPQZQDRROH-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
CID 117412713
2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
CID 115010665
2-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 115010668
3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 117303834
1-[(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)methyl]cyclopropan-1-amine
CID 117350431
3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 19611649
8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene
CID 141158645
8-fluoro-5-methyl-3,4-dihydro-2H-chromene
CID 66604057
5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117303715
4-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)butan-2-one
CID 116986455
2-amino-3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)propanoic acid
CID 117395806
3-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-amine
CID 117403455

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine?
The IUPAC name of 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine (CID 90878501) is 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine.
What is the SMILES notation for 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine?
The canonical SMILES for 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine is NCCc1c(F)c(F)c(F)c2c1CCCO2.
What is the InChIKey of 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine?
The InChIKey is CSROVPQZQDRROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-8-6(3-4-15)7-2-1-5-16-11(7)10(14)9(8)13/h1-5,15H2.
What are the key properties of 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine?
2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine has a molecular weight of 231.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine is sourced from PubChem (CID 90878501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).