4-iodo-2-(trifluoromethoxy)phenol

C7H4F3IO2 — CID 151053566

IUPAC4-iodo-2-(trifluoromethoxy)phenol
SMILESOc1ccc(I)cc1OC(F)(F)F
InChIInChI=1S/C7H4F3IO2/c8-7(9,10)13-6-3-4(11)1-2-5(6)12/h1-3,12H
InChIKeyMEQFDPAGKDPFQT-UHFFFAOYSA-N
MW304.00 g/mol
LogP2.90
Rot. Bonds1

About 4-iodo-2-(trifluoromethoxy)phenol

4-iodo-2-(trifluoromethoxy)phenol (PubChem CID 151053566) has the molecular formula C7H4F3IO2 and a molecular weight of 304.00 g/mol. Its IUPAC name is 4-iodo-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-iodo-2-(trifluoromethoxy)phenol
PubChem CID151053566
Molecular FormulaC7H4F3IO2
Molecular Weight304.00 g/mol
Exact Mass303.92
IUPAC Name4-iodo-2-(trifluoromethoxy)phenol
SMILESOc1ccc(I)cc1OC(F)(F)F
InChIInChI=1S/C7H4F3IO2/c8-7(9,10)13-6-3-4(11)1-2-5(6)12/h1-3,12H
InChIKeyMEQFDPAGKDPFQT-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.00
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
5-iodo-2-(trifluoromethoxy)benzenesulfonamide
CID 170998338
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
5-iodo-2-(trifluoromethoxy)benzonitrile
CID 121228614
2-(bromomethyl)-4-iodo-1-(trifluoromethoxy)benzene
CID 170997750
4-iodo-2-prop-2-enoxyphenol
CID 121430000
4-(3-methylbutyl)-2-(trifluoromethoxy)phenol
CID 123306584
2,3-dichloro-4-(trifluoromethoxy)phenol
CID 119023608
N-[4-iodo-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370005

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-iodo-2-(trifluoromethoxy)phenol (CID 151053566) is 4-iodo-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-iodo-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-iodo-2-(trifluoromethoxy)phenol is Oc1ccc(I)cc1OC(F)(F)F.
What is the InChIKey of 4-iodo-2-(trifluoromethoxy)phenol?
The InChIKey is MEQFDPAGKDPFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IO2/c8-7(9,10)13-6-3-4(11)1-2-5(6)12/h1-3,12H.
What are the key properties of 4-iodo-2-(trifluoromethoxy)phenol?
4-iodo-2-(trifluoromethoxy)phenol has a molecular weight of 304.00 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 151053566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).