(2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane

C15H18F4O2 — CID 156545916

IUPAC(2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane
SMILESCCc1c(F)ccc([C@@H]2CO[C@](C)(C(F)(F)F)C2)c1OC
InChIInChI=1S/C15H18F4O2/c1-4-10-12(16)6-5-11(13(10)20-3)9-7-14(2,21-8-9)15(17,18)19/h5-6,9H,4,7-8H2,1-3H3/t9-,14-/m0/s1
InChIKeyJUHYOUUIXMWSMO-XPTSAGLGSA-N
MW306.30 g/mol
LogP4.22
Rot. Bonds3

About (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane

(2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane (PubChem CID 156545916) has the molecular formula C15H18F4O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane
PubChem CID156545916
Molecular FormulaC15H18F4O2
Molecular Weight306.30 g/mol
Exact Mass306.12
IUPAC Name(2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane
SMILESCCc1c(F)ccc([C@@H]2CO[C@](C)(C(F)(F)F)C2)c1OC
InChIInChI=1S/C15H18F4O2/c1-4-10-12(16)6-5-11(13(10)20-3)9-7-14(2,21-8-9)15(17,18)19/h5-6,9H,4,7-8H2,1-3H3/t9-,14-/m0/s1
InChIKeyJUHYOUUIXMWSMO-XPTSAGLGSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane?
The IUPAC name of (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane (CID 156545916) is (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane.
What is the SMILES notation for (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane?
The canonical SMILES for (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane is CCc1c(F)ccc([C@@H]2CO[C@](C)(C(F)(F)F)C2)c1OC.
What is the InChIKey of (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane?
The InChIKey is JUHYOUUIXMWSMO-XPTSAGLGSA-N. The full InChI is InChI=1S/C15H18F4O2/c1-4-10-12(16)6-5-11(13(10)20-3)9-7-14(2,21-8-9)15(17,18)19/h5-6,9H,4,7-8H2,1-3H3/t9-,14-/m0/s1.
What are the key properties of (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane?
(2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane has a molecular weight of 306.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 156545916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).