3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol

C11H10ClF5O — CID 176776523

IUPAC3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol
SMILESCC(C)(C)c1c(F)c(O)c(F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C11H10ClF5O/c1-10(2,3)5-4(11(15,16)17)6(12)8(14)9(18)7(5)13/h18H,1-3H3
InChIKeyCEWVRWKDVSCFDB-UHFFFAOYSA-N
MW288.64 g/mol
LogP4.64
Rot. Bonds

About 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol

3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol (PubChem CID 176776523) has the molecular formula C11H10ClF5O and a molecular weight of 288.64 g/mol. Its IUPAC name is 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol
PubChem CID176776523
Molecular FormulaC11H10ClF5O
Molecular Weight288.64 g/mol
Exact Mass288.03
IUPAC Name3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol
SMILESCC(C)(C)c1c(F)c(O)c(F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C11H10ClF5O/c1-10(2,3)5-4(11(15,16)17)6(12)8(14)9(18)7(5)13/h18H,1-3H3
InChIKeyCEWVRWKDVSCFDB-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.64
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-5-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 176776154
2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol
CID 139943583
1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
CID 75406204
1,3-dichloro-2,4,5-trifluoro-6-(trifluoromethyl)benzene
CID 71406765
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
CID 90973259
6-bromo-4-tert-butyl-3-chloro-2-fluorophenol
CID 169256345
3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline
CID 170421614
2,2,2-tris[2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)phenyl]acetonitrile
CID 175250843
3-tert-butyl-4,5-difluorobenzene-1,2-diol
CID 87961156
3-tert-butyl-5-chloro-2-methyl-4-(trifluoromethyl)aniline
CID 176800814
4-amino-3-chloro-2-(trifluoromethyl)phenol
CID 119003890

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol?
The IUPAC name of 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol (CID 176776523) is 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol.
What is the SMILES notation for 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol?
The canonical SMILES for 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol is CC(C)(C)c1c(F)c(O)c(F)c(Cl)c1C(F)(F)F.
What is the InChIKey of 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol?
The InChIKey is CEWVRWKDVSCFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF5O/c1-10(2,3)5-4(11(15,16)17)6(12)8(14)9(18)7(5)13/h18H,1-3H3.
What are the key properties of 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol?
3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol has a molecular weight of 288.64 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chloro-2,6-difluoro-4-(trifluoromethyl)phenol is sourced from PubChem (CID 176776523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).