(4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine

C10H10F3NO2 — CID 124518459

IUPAC(4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CCOc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)16-8-3-1-2-6-7(14)4-5-15-9(6)8/h1-3,7H,4-5,14H2/t7-/m0/s1
InChIKeyDDCZLPCCTJEGSL-ZETCQYMHSA-N
MW233.19 g/mol
LogP2.37
Rot. Bonds1

About (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine

(4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 124518459) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine
PubChem CID124518459
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name(4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CCOc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)16-8-3-1-2-6-7(14)4-5-15-9(6)8/h1-3,7H,4-5,14H2/t7-/m0/s1
InChIKeyDDCZLPCCTJEGSL-ZETCQYMHSA-N
XLogP2.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine 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

8-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-amine
CID 135373989
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
CID 46911909
[(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
CID 68988557
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
4-amino-N-[(2S)-1-amino-1-oxo-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 70288188
(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 130613783
(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
CID 130673760
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55292280
8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55294993

Frequently Asked Questions

What is the IUPAC name of (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine (CID 124518459) is (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CCOc2c(OC(F)(F)F)cccc21.
What is the InChIKey of (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DDCZLPCCTJEGSL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)16-8-3-1-2-6-7(14)4-5-15-9(6)8/h1-3,7H,4-5,14H2/t7-/m0/s1.
What are the key properties of (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine?
(4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 233.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 124518459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).