5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine

C17H17ClF3NO — CID 143567653

IUPAC5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine
SMILESCN.FC(F)(F)c1ccc(-c2cccc3c2CCCO3)c(Cl)c1
InChIInChI=1S/C16H12ClF3O.CH5N/c17-14-9-10(16(18,19)20)6-7-12(14)11-3-1-5-15-13(11)4-2-8-21-15;1-2/h1,3,5-7,9H,2,4,8H2;2H2,1H3
InChIKeyMPUIXGQRRLIOCB-UHFFFAOYSA-N
MW343.78 g/mol
LogP4.93
Rot. Bonds1

About 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine

5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine (PubChem CID 143567653) has the molecular formula C17H17ClF3NO and a molecular weight of 343.78 g/mol. Its IUPAC name is 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine.

Molecular Properties

Compound Name5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine
PubChem CID143567653
Molecular FormulaC17H17ClF3NO
Molecular Weight343.78 g/mol
Exact Mass343.10
IUPAC Name5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine
SMILESCN.FC(F)(F)c1ccc(-c2cccc3c2CCCO3)c(Cl)c1
InChIInChI=1S/C16H12ClF3O.CH5N/c17-14-9-10(16(18,19)20)6-7-12(14)11-3-1-5-15-13(11)4-2-8-21-15;1-2/h1,3,5-7,9H,2,4,8H2;2H2,1H3
InChIKeyMPUIXGQRRLIOCB-UHFFFAOYSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine?
The IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine (CID 143567653) is 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine.
What is the SMILES notation for 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine?
The canonical SMILES for 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine is CN.FC(F)(F)c1ccc(-c2cccc3c2CCCO3)c(Cl)c1.
What is the InChIKey of 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine?
The InChIKey is MPUIXGQRRLIOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3O.CH5N/c17-14-9-10(16(18,19)20)6-7-12(14)11-3-1-5-15-13(11)4-2-8-21-15;1-2/h1,3,5-7,9H,2,4,8H2;2H2,1H3.
What are the key properties of 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine?
5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine has a molecular weight of 343.78 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene;methanamine is sourced from PubChem (CID 143567653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).