4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide

C16H11F6NO2 — CID 142414901

IUPAC4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H11F6NO2/c17-15(18,19)13(16(20,21)22)9-1-5-11(6-2-9)25-12-7-3-10(4-8-12)14(23)24/h1-8,13H,(H2,23,24)
InChIKeyCXNJHLPKPVWAMI-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.79
Rot. Bonds4

About 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide

4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide (PubChem CID 142414901) has the molecular formula C16H11F6NO2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide
PubChem CID142414901
Molecular FormulaC16H11F6NO2
Molecular Weight363.26 g/mol
Exact Mass363.07
IUPAC Name4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H11F6NO2/c17-15(18,19)13(16(20,21)22)9-1-5-11(6-2-9)25-12-7-3-10(4-8-12)14(23)24/h1-8,13H,(H2,23,24)
InChIKeyCXNJHLPKPVWAMI-UHFFFAOYSA-N
XLogP4.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
CID 154271060
4-(4-fluorophenoxy)benzamide
CID 22142233
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-[4-(trifluoromethyl)phenoxy]benzene
CID 151658047
4-(4-hydroxyphenoxy)benzamide
CID 60869896
4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 159342881
N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide
CID 158611008
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
(E)-but-2-enedioic acid;4-phenoxybenzamide
CID 68593915
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide?
The IUPAC name of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide (CID 142414901) is 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide.
What is the SMILES notation for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide?
The canonical SMILES for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide?
The InChIKey is CXNJHLPKPVWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO2/c17-15(18,19)13(16(20,21)22)9-1-5-11(6-2-9)25-12-7-3-10(4-8-12)14(23)24/h1-8,13H,(H2,23,24).
What are the key properties of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide?
4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide has a molecular weight of 363.26 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide is sourced from PubChem (CID 142414901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).