2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran

C14H14F4O2 — CID 174959767

IUPAC2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
SMILESC[C@H](OC(F)F)C1CCC(c2ccc(F)cc2F)=CO1
InChIInChI=1S/C14H14F4O2/c1-8(20-14(17)18)13-5-2-9(7-19-13)11-4-3-10(15)6-12(11)16/h3-4,6-8,13-14H,2,5H2,1H3/t8-,13?/m0/s1
InChIKeyNAWRVWLDNKDDHQ-OADYLZGLSA-N
MW290.26 g/mol
LogP4.11
Rot. Bonds4

About 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran

2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran (PubChem CID 174959767) has the molecular formula C14H14F4O2 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
PubChem CID174959767
Molecular FormulaC14H14F4O2
Molecular Weight290.26 g/mol
Exact Mass290.09
IUPAC Name2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
SMILESC[C@H](OC(F)F)C1CCC(c2ccc(F)cc2F)=CO1
InChIInChI=1S/C14H14F4O2/c1-8(20-14(17)18)13-5-2-9(7-19-13)11-4-3-10(15)6-12(11)16/h3-4,6-8,13-14H,2,5H2,1H3/t8-,13?/m0/s1
InChIKeyNAWRVWLDNKDDHQ-OADYLZGLSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410075
(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410062
[(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-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363887
N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine
CID 175232836
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine
CID 175233044
3-(2,4-difluorophenyl)cyclohex-2-en-1-ol
CID 65177210
3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
CID 107383480
(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 129390775
(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
CID 153410094

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran (CID 174959767) is 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran is C[C@H](OC(F)F)C1CCC(c2ccc(F)cc2F)=CO1.
What is the InChIKey of 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran?
The InChIKey is NAWRVWLDNKDDHQ-OADYLZGLSA-N. The full InChI is InChI=1S/C14H14F4O2/c1-8(20-14(17)18)13-5-2-9(7-19-13)11-4-3-10(15)6-12(11)16/h3-4,6-8,13-14H,2,5H2,1H3/t8-,13?/m0/s1.
What are the key properties of 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran?
2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran has a molecular weight of 290.26 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 174959767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).