CID 87618291

C16H10F6NaO3 — CID 87618291

IUPAC—
SMILESO=C(O)C(Oc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1.[Na]
InChIInChI=1S/C16H10F6O3.Na/c17-15(18,19)10-4-6-12(7-5-10)25-13(14(23)24)9-2-1-3-11(8-9)16(20,21)22;/h1-8,13H,(H,23,24);
InChIKeySXTRIYZSXFHQPC-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.55
Rot. Bonds4

About CID 87618291

CID 87618291 (PubChem CID 87618291) has the molecular formula C16H10F6NaO3 and a molecular weight of 387.23 g/mol.

Molecular Properties

Compound NameCID 87618291
PubChem CID87618291
Molecular FormulaC16H10F6NaO3
Molecular Weight387.23 g/mol
Exact Mass387.04
IUPAC Name—
SMILESO=C(O)C(Oc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1.[Na]
InChIInChI=1S/C16H10F6O3.Na/c17-15(18,19)10-4-6-12(7-5-10)25-13(14(23)24)9-2-1-3-11(8-9)16(20,21)22;/h1-8,13H,(H,23,24);
InChIKeySXTRIYZSXFHQPC-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetyl chloride
CID 59713024
2-[4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetaldehyde;2-[4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetic acid;2-[4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetyl chloride
CID 160786953
2-[4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetyl cyanide
CID 59713010
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetate;4-(trifluoromethyl)phenol;2-[4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 160891902
2-[3-(trifluoromethyl)phenoxy]-2-[4-[2-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]acetic acid
CID 22761075
2-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 23540648
2-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 134951743
2,2-bis[4-[4-(trifluoromethyl)phenyl]phenoxy]acetic acid
CID 91671383
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
1-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 83225619
2-[3-(trifluoromethyl)phenoxy]-2-[4-[2-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]acetate
CID 22761074
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852

Frequently Asked Questions

What is the IUPAC name of CID 87618291?
The IUPAC name of CID 87618291 (CID 87618291) is not available.
What is the SMILES notation for CID 87618291?
The canonical SMILES for CID 87618291 is O=C(O)C(Oc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1.[Na].
What is the InChIKey of CID 87618291?
The InChIKey is SXTRIYZSXFHQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O3.Na/c17-15(18,19)10-4-6-12(7-5-10)25-13(14(23)24)9-2-1-3-11(8-9)16(20,21)22;/h1-8,13H,(H,23,24);.
What are the key properties of CID 87618291?
CID 87618291 has a molecular weight of 387.23 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87618291 is sourced from PubChem (CID 87618291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).