[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide

C14H11F3NO- — CID 154400720

IUPAC[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[NH-]
InChIInChI=1S/C14H11F3NO/c1-9-8-12(6-7-13(9)18)19-11-4-2-10(3-5-11)14(15,16)17/h2-8,18H,1H3/q-1
InChIKeyIOZRHOUTMGMENX-UHFFFAOYSA-N
MW266.24 g/mol
LogP5.49
Rot. Bonds2

About [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide

[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide (PubChem CID 154400720) has the molecular formula C14H11F3NO- and a molecular weight of 266.24 g/mol. Its IUPAC name is [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide.

Molecular Properties

Compound Name[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide
PubChem CID154400720
Molecular FormulaC14H11F3NO-
Molecular Weight266.24 g/mol
Exact Mass266.08
IUPAC Name[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[NH-]
InChIInChI=1S/C14H11F3NO/c1-9-8-12(6-7-13(9)18)19-11-4-2-10(3-5-11)14(15,16)17/h2-8,18H,1H3/q-1
InChIKeyIOZRHOUTMGMENX-UHFFFAOYSA-N
XLogP5.49
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.24
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 67387269
2-fluoro-1-methoxy-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 166073527
1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 176691111
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
2-[2-methyl-4-[4-(trifluoromethyl)phenoxy]anilino]ethene-1,1,2-tricarbonitrile
CID 168609850
1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 166074039
4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene
CID 143861394
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
CID 139680214
3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
CID 115550906
2,4-dimethyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 176691058

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide?
The IUPAC name of [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide (CID 154400720) is [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide.
What is the SMILES notation for [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide?
The canonical SMILES for [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide is Cc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[NH-].
What is the InChIKey of [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide?
The InChIKey is IOZRHOUTMGMENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3NO/c1-9-8-12(6-7-13(9)18)19-11-4-2-10(3-5-11)14(15,16)17/h2-8,18H,1H3/q-1.
What are the key properties of [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide?
[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide has a molecular weight of 266.24 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide is sourced from PubChem (CID 154400720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).