1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene

C14H9ClF4O — CID 125116513

IUPAC1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene
SMILESFc1c(Cl)cc(OCc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C14H9ClF4O/c15-12-7-10(6-11(13(12)16)14(17,18)19)20-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRSWOUGFDELDCAJ-UHFFFAOYSA-N
MW304.67 g/mol
LogP5.08
Rot. Bonds3

About 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene

1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene (PubChem CID 125116513) has the molecular formula C14H9ClF4O and a molecular weight of 304.67 g/mol. Its IUPAC name is 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene
PubChem CID125116513
Molecular FormulaC14H9ClF4O
Molecular Weight304.67 g/mol
Exact Mass304.03
IUPAC Name1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene
SMILESFc1c(Cl)cc(OCc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C14H9ClF4O/c15-12-7-10(6-11(13(12)16)14(17,18)19)20-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRSWOUGFDELDCAJ-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.67
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173
1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
CID 91864206
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
3-chloro-2-methyl-5-phenylmethoxypyridine
CID 67611027
2-bromo-3-chloro-5-phenylmethoxypyridine
CID 71711003
2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine
CID 169250811
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene (CID 125116513) is 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene is Fc1c(Cl)cc(OCc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene?
The InChIKey is RSWOUGFDELDCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O/c15-12-7-10(6-11(13(12)16)14(17,18)19)20-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene?
1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene has a molecular weight of 304.67 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 125116513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).