[2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine

C14H16F3NO — CID 118389897

IUPAC[2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine
SMILESCC1(C)Oc2ccc(C(F)(F)F)cc2C2(CN)CC12
InChIInChI=1S/C14H16F3NO/c1-12(2)11-6-13(11,7-18)9-5-8(14(15,16)17)3-4-10(9)19-12/h3-5,11H,6-7,18H2,1-2H3
InChIKeyCHYDSOGGPXOROH-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.09
Rot. Bonds1

About [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine

[2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine (PubChem CID 118389897) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine
PubChem CID118389897
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name[2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine
SMILESCC1(C)Oc2ccc(C(F)(F)F)cc2C2(CN)CC12
InChIInChI=1S/C14H16F3NO/c1-12(2)11-6-13(11,7-18)9-5-8(14(15,16)17)3-4-10(9)19-12/h3-5,11H,6-7,18H2,1-2H3
InChIKeyCHYDSOGGPXOROH-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine?
The IUPAC name of [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine (CID 118389897) is [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine.
What is the SMILES notation for [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine?
The canonical SMILES for [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine is CC1(C)Oc2ccc(C(F)(F)F)cc2C2(CN)CC12.
What is the InChIKey of [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine?
The InChIKey is CHYDSOGGPXOROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-12(2)11-6-13(11,7-18)9-5-8(14(15,16)17)3-4-10(9)19-12/h3-5,11H,6-7,18H2,1-2H3.
What are the key properties of [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine?
[2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine has a molecular weight of 271.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-(trifluoromethyl)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methanamine is sourced from PubChem (CID 118389897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).