(2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane

C15H17F5O — CID 175984824

IUPAC(2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane
SMILESCCc1c([C@@H]2CO[C@@](C)(C(F)(F)F)[C@@H]2C)ccc(F)c1F
InChIInChI=1S/C15H17F5O/c1-4-9-10(5-6-12(16)13(9)17)11-7-21-14(3,8(11)2)15(18,19)20/h5-6,8,11H,4,7H2,1-3H3/t8-,11-,14-/m1/s1
InChIKeySZCMIMYVXCZIER-XPLICSAQSA-N
MW308.29 g/mol
LogP4.60
Rot. Bonds2

About (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane

(2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane (PubChem CID 175984824) has the molecular formula C15H17F5O and a molecular weight of 308.29 g/mol. Its IUPAC name is (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane
PubChem CID175984824
Molecular FormulaC15H17F5O
Molecular Weight308.29 g/mol
Exact Mass308.12
IUPAC Name(2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane
SMILESCCc1c([C@@H]2CO[C@@](C)(C(F)(F)F)[C@@H]2C)ccc(F)c1F
InChIInChI=1S/C15H17F5O/c1-4-9-10(5-6-12(16)13(9)17)11-7-21-14(3,8(11)2)15(18,19)20/h5-6,8,11H,4,7H2,1-3H3/t8-,11-,14-/m1/s1
InChIKeySZCMIMYVXCZIER-XPLICSAQSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The IUPAC name of (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane (CID 175984824) is (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane.
What is the SMILES notation for (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The canonical SMILES for (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane is CCc1c([C@@H]2CO[C@@](C)(C(F)(F)F)[C@@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane?
The InChIKey is SZCMIMYVXCZIER-XPLICSAQSA-N. The full InChI is InChI=1S/C15H17F5O/c1-4-9-10(5-6-12(16)13(9)17)11-7-21-14(3,8(11)2)15(18,19)20/h5-6,8,11H,4,7H2,1-3H3/t8-,11-,14-/m1/s1.
What are the key properties of (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane?
(2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane has a molecular weight of 308.29 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 175984824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).