(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C15H17BrF3NO — CID 104945623

IUPAC(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESN[C@H]1CC2(CCC(C(F)(F)F)CC2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H17BrF3NO/c16-10-1-2-11-12(20)8-14(21-13(11)7-10)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12H,3-6,8,20H2/t9?,12-,14?/m0/s1
InChIKeyPRNWBESZQSCXFR-PEUVISTOSA-N
MW364.21 g/mol
LogP4.72
Rot. Bonds

About (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104945623) has the molecular formula C15H17BrF3NO and a molecular weight of 364.21 g/mol. Its IUPAC name is (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104945623
Molecular FormulaC15H17BrF3NO
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC Name(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESN[C@H]1CC2(CCC(C(F)(F)F)CC2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H17BrF3NO/c16-10-1-2-11-12(20)8-14(21-13(11)7-10)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12H,3-6,8,20H2/t9?,12-,14?/m0/s1
InChIKeyPRNWBESZQSCXFR-PEUVISTOSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine with MolForge

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Related Compounds

(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945705
7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714791
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678
(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945573
7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114709145
(4R)-7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945391
CID 114821592
CID 114821592
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951278
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709220
(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104945533
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104945623) is (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is N[C@H]1CC2(CCC(C(F)(F)F)CC2)Oc2cc(Br)ccc21.
What is the InChIKey of (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is PRNWBESZQSCXFR-PEUVISTOSA-N. The full InChI is InChI=1S/C15H17BrF3NO/c16-10-1-2-11-12(20)8-14(21-13(11)7-10)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12H,3-6,8,20H2/t9?,12-,14?/m0/s1.
What are the key properties of (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 364.21 g/mol, XLogP of 4.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104945623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).