2-chloro-6-fluoro-3-(trifluoromethyl)phenol

C7H3ClF4O — CID 59010056

IUPAC2-chloro-6-fluoro-3-(trifluoromethyl)phenol
SMILESOc1c(F)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H3ClF4O/c8-5-3(7(10,11)12)1-2-4(9)6(5)13/h1-2,13H
InChIKeyZOFBWMVVIDDWJL-UHFFFAOYSA-N
MW214.55 g/mol
LogP3.20
Rot. Bonds

About 2-chloro-6-fluoro-3-(trifluoromethyl)phenol

2-chloro-6-fluoro-3-(trifluoromethyl)phenol (PubChem CID 59010056) has the molecular formula C7H3ClF4O and a molecular weight of 214.55 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-(trifluoromethyl)phenol
PubChem CID59010056
Molecular FormulaC7H3ClF4O
Molecular Weight214.55 g/mol
Exact Mass213.98
IUPAC Name2-chloro-6-fluoro-3-(trifluoromethyl)phenol
SMILESOc1c(F)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H3ClF4O/c8-5-3(7(10,11)12)1-2-4(9)6(5)13/h1-2,13H
InChIKeyZOFBWMVVIDDWJL-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-fluoro-3-(trifluoromethyl)aniline
CID 54099645
2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
CID 119006326
CID 69435849
CID 69435849
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
[5-chloro-2-(trifluoromethyl)phenyl]boronic acid
CID 46736817
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
CID 176572843
CID 176572843
3-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 130849089
2-[(1R)-1,2-diaminoethyl]-6-fluoro-3-(trifluoromethyl)phenol
CID 66517829
2-[(1S)-1-amino-2-fluoroethyl]-6-fluoro-3-(trifluoromethyl)phenol;hydrochloride
CID 171259092
3-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid
CID 86277703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-(trifluoromethyl)phenol?
The IUPAC name of 2-chloro-6-fluoro-3-(trifluoromethyl)phenol (CID 59010056) is 2-chloro-6-fluoro-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-chloro-6-fluoro-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-chloro-6-fluoro-3-(trifluoromethyl)phenol is Oc1c(F)ccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-(trifluoromethyl)phenol?
The InChIKey is ZOFBWMVVIDDWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4O/c8-5-3(7(10,11)12)1-2-4(9)6(5)13/h1-2,13H.
What are the key properties of 2-chloro-6-fluoro-3-(trifluoromethyl)phenol?
2-chloro-6-fluoro-3-(trifluoromethyl)phenol has a molecular weight of 214.55 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-(trifluoromethyl)phenol is sourced from PubChem (CID 59010056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).