(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran

C15H15F5O — CID 153410094

IUPAC(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
SMILESCC[C@]1(CC(F)(F)F)CCC(c2ccc(F)cc2F)=CO1
InChIInChI=1S/C15H15F5O/c1-2-14(9-15(18,19)20)6-5-10(8-21-14)12-4-3-11(16)7-13(12)17/h3-4,7-8H,2,5-6,9H2,1H3/t14-/m1/s1
InChIKeyXILMXMQZQCBNGG-CQSZACIVSA-N
MW306.27 g/mol
LogP5.22
Rot. Bonds3

About (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran

(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran (PubChem CID 153410094) has the molecular formula C15H15F5O and a molecular weight of 306.27 g/mol. Its IUPAC name is (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran.

Molecular Properties

Compound Name(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
PubChem CID153410094
Molecular FormulaC15H15F5O
Molecular Weight306.27 g/mol
Exact Mass306.10
IUPAC Name(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
SMILESCC[C@]1(CC(F)(F)F)CCC(c2ccc(F)cc2F)=CO1
InChIInChI=1S/C15H15F5O/c1-2-14(9-15(18,19)20)6-5-10(8-21-14)12-4-3-11(16)7-13(12)17/h3-4,7-8H,2,5-6,9H2,1H3/t14-/m1/s1
InChIKeyXILMXMQZQCBNGG-CQSZACIVSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.27
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol
CID 153410052
N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine
CID 175232836
(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine
CID 175233044
[(2R)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 175232862
[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 153410093
(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410062
(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410075
2,2-diethyl-7-fluoro-3H-chromen-4-one
CID 67362507
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 174959767
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran?
The IUPAC name of (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran (CID 153410094) is (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran.
What is the SMILES notation for (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran?
The canonical SMILES for (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran is CC[C@]1(CC(F)(F)F)CCC(c2ccc(F)cc2F)=CO1.
What is the InChIKey of (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran?
The InChIKey is XILMXMQZQCBNGG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15F5O/c1-2-14(9-15(18,19)20)6-5-10(8-21-14)12-4-3-11(16)7-13(12)17/h3-4,7-8H,2,5-6,9H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran?
(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran has a molecular weight of 306.27 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran is sourced from PubChem (CID 153410094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).