(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine

C14H18F3NO — CID 59323480

IUPAC(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)C[C@@H](N)c2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C14H18F3NO/c1-3-13(4-2)8-11(18)9-6-5-7-10(12(9)19-13)14(15,16)17/h5-7,11H,3-4,8,18H2,1-2H3/t11-/m1/s1
InChIKeyRFMMFDRRXOTLSC-LLVKDONJSA-N
MW273.30 g/mol
LogP4.05
Rot. Bonds2

About (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine

(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine (PubChem CID 59323480) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
PubChem CID59323480
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)C[C@@H](N)c2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C14H18F3NO/c1-3-13(4-2)8-11(18)9-6-5-7-10(12(9)19-13)14(15,16)17/h5-7,11H,3-4,8,18H2,1-2H3/t11-/m1/s1
InChIKeyRFMMFDRRXOTLSC-LLVKDONJSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
CID 68596556
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
CID 46911909
(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
CID 68595502
1-[(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-1-(1-methylindazol-4-yl)urea
CID 68594263
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
CID 130778486
2,2-diethyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81415107
7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462395
(4S)-6-bromo-2-butyl-2-ethyl-3,4-dihydrochromen-4-amine
CID 104947246
(4R)-7,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 68595471
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 156594473

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine (CID 59323480) is (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine is CCC1(CC)C[C@@H](N)c2cccc(C(F)(F)F)c2O1.
What is the InChIKey of (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is RFMMFDRRXOTLSC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-13(4-2)8-11(18)9-6-5-7-10(12(9)19-13)14(15,16)17/h5-7,11H,3-4,8,18H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine?
(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 273.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 59323480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).