(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol

C16H12F6O3 — CID 59458706

IUPAC(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
SMILESCOc1cc(C(O)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F
InChIInChI=1S/C16H12F6O3/c1-24-13-6-8(2-3-12(13)18)14(23)9-4-10(17)7-11(5-9)25-16(21,22)15(19)20/h2-7,14-15,23H,1H3
InChIKeyLDCYIUWEZULSMG-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.29
Rot. Bonds6

About (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol

(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol (PubChem CID 59458706) has the molecular formula C16H12F6O3 and a molecular weight of 366.26 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
PubChem CID59458706
Molecular FormulaC16H12F6O3
Molecular Weight366.26 g/mol
Exact Mass366.07
IUPAC Name(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
SMILESCOc1cc(C(O)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F
InChIInChI=1S/C16H12F6O3/c1-24-13-6-8(2-3-12(13)18)14(23)9-4-10(17)7-11(5-9)25-16(21,22)15(19)20/h2-7,14-15,23H,1H3
InChIKeyLDCYIUWEZULSMG-UHFFFAOYSA-N
XLogP4.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-fluoro-3-(hydroxymethyl)phenyl]-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol
CID 89296701
1-fluoro-3-[(1R)-1-(4-fluoro-3-methoxyphenyl)-2-phenylethyl]-5-(1,1,2,2-tetrafluoroethoxy)benzene
CID 143474978
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
1-fluoro-3-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-(1,1,2,2-tetrafluoroethoxy)benzene;4-fluoro-3-(trifluoromethyl)benzamide;(2Z,4Z)-6-methylhepta-2,4-diene
CID 143472316
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115823139
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
tert-butyl N-fluoro-N-[[3-[[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-hydroxymethyl]phenyl]methyl]carbamate
CID 87152267
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol (CID 59458706) is (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol is COc1cc(C(O)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol?
The InChIKey is LDCYIUWEZULSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O3/c1-24-13-6-8(2-3-12(13)18)14(23)9-4-10(17)7-11(5-9)25-16(21,22)15(19)20/h2-7,14-15,23H,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol?
(4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol has a molecular weight of 366.26 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]methanol is sourced from PubChem (CID 59458706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).