6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine

C15H19F4NO — CID 114710604

IUPAC6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(CCCC(F)(F)F)Oc2ccc(F)cc21
InChIInChI=1S/C15H19F4NO/c1-14(6-3-7-15(17,18)19)9-12(20-2)11-8-10(16)4-5-13(11)21-14/h4-5,8,12,20H,3,6-7,9H2,1-2H3
InChIKeySSJJRFAGXGOMDV-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.36
Rot. Bonds4

About 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine

6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine (PubChem CID 114710604) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine
PubChem CID114710604
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(CCCC(F)(F)F)Oc2ccc(F)cc21
InChIInChI=1S/C15H19F4NO/c1-14(6-3-7-15(17,18)19)9-12(20-2)11-8-10(16)4-5-13(11)21-14/h4-5,8,12,20H,3,6-7,9H2,1-2H3
InChIKeySSJJRFAGXGOMDV-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 104949160
(4S)-6-bromo-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 104951175
6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
CID 114710439
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
7-fluoro-2-methyl-2-pentyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114713953
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
7-methoxy-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 114714275
N,2-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
CID 114712083
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine (CID 114710604) is 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine is CNC1CC(C)(CCCC(F)(F)F)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine?
The InChIKey is SSJJRFAGXGOMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-14(6-3-7-15(17,18)19)9-12(20-2)11-8-10(16)4-5-13(11)21-14/h4-5,8,12,20H,3,6-7,9H2,1-2H3.
What are the key properties of 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine?
6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine has a molecular weight of 305.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,2-dimethyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114710604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).