(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H20F3NO — CID 104946481

IUPAC(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CCCC(C(F)(F)F)C1)O2
InChIInChI=1S/C16H20F3NO/c1-10-4-5-14-12(7-10)13(20)9-15(21-14)6-2-3-11(8-15)16(17,18)19/h4-5,7,11,13H,2-3,6,8-9,20H2,1H3/t11?,13-,15?/m0/s1
InChIKeyLDQAJUVEUCKQAQ-QRJNDHJOSA-N
MW299.34 g/mol
LogP4.27
Rot. Bonds

About (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104946481) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104946481
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC1(CCCC(C(F)(F)F)C1)O2
InChIInChI=1S/C16H20F3NO/c1-10-4-5-14-12(7-10)13(20)9-15(21-14)6-2-3-11(8-15)16(17,18)19/h4-5,7,11,13H,2-3,6,8-9,20H2,1H3/t11?,13-,15?/m0/s1
InChIKeyLDQAJUVEUCKQAQ-QRJNDHJOSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104946481) is (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is Cc1ccc2c(c1)[C@@H](N)CC1(CCCC(C(F)(F)F)C1)O2.
What is the InChIKey of (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is LDQAJUVEUCKQAQ-QRJNDHJOSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-10-4-5-14-12(7-10)13(20)9-15(21-14)6-2-3-11(8-15)16(17,18)19/h4-5,7,11,13H,2-3,6,8-9,20H2,1H3/t11?,13-,15?/m0/s1.
What are the key properties of (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 299.34 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104946481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).