2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine

C19H17Cl3F3NO2 — CID 21466411

IUPAC2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(OCC=C(Cl)Cl)ccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H17Cl3F3NO2/c1-18(2,3)13-9-12(27-7-6-16(21)22)4-5-15(13)28-17-14(20)8-11(10-26-17)19(23,24)25/h4-6,8-10H,7H2,1-3H3
InChIKeyDPWZDLINPPOUKI-UHFFFAOYSA-N
MW454.70 g/mol
LogP7.54
Rot. Bonds5

About 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine

2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 21466411) has the molecular formula C19H17Cl3F3NO2 and a molecular weight of 454.70 g/mol. Its IUPAC name is 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID21466411
Molecular FormulaC19H17Cl3F3NO2
Molecular Weight454.70 g/mol
Exact Mass453.03
IUPAC Name2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(OCC=C(Cl)Cl)ccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H17Cl3F3NO2/c1-18(2,3)13-9-12(27-7-6-16(21)22)4-5-15(13)28-17-14(20)8-11(10-26-17)19(23,24)25/h4-6,8-10H,7H2,1-3H3
InChIKeyDPWZDLINPPOUKI-UHFFFAOYSA-N
XLogP7.54
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.70
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine
CID 21466401
2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
CID 21466246
2-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-4,5-bis(trifluoromethyl)pyridine
CID 21466193
3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine
CID 139750790
2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466475
2-[2-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]ethoxy]-3-(trifluoromethyl)pyridine
CID 142242953
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol
CID 68552856
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methoxyphenyl]methyl hypoiodite
CID 162586671
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine (CID 21466411) is 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine is CC(C)(C)c1cc(OCC=C(Cl)Cl)ccc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is DPWZDLINPPOUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3F3NO2/c1-18(2,3)13-9-12(27-7-6-16(21)22)4-5-15(13)28-17-14(20)8-11(10-26-17)19(23,24)25/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?
2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 454.70 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 21466411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).