2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride

C20H13Cl2F3O3 — CID 54189653

IUPAC2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride
SMILESCC(Oc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1)C(=O)Cl
InChIInChI=1S/C20H13Cl2F3O3/c1-11(19(22)26)27-15-5-2-12-3-6-16(9-13(12)8-15)28-18-7-4-14(10-17(18)21)20(23,24)25/h2-11H,1H3
InChIKeyPHPOJBCPWXIELU-UHFFFAOYSA-N
MW429.22 g/mol
LogP6.84
Rot. Bonds5

About 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride

2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride (PubChem CID 54189653) has the molecular formula C20H13Cl2F3O3 and a molecular weight of 429.22 g/mol. Its IUPAC name is 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride.

Molecular Properties

Compound Name2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride
PubChem CID54189653
Molecular FormulaC20H13Cl2F3O3
Molecular Weight429.22 g/mol
Exact Mass428.02
IUPAC Name2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride
SMILESCC(Oc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1)C(=O)Cl
InChIInChI=1S/C20H13Cl2F3O3/c1-11(19(22)26)27-15-5-2-12-3-6-16(9-13(12)8-15)28-18-7-4-14(10-17(18)21)20(23,24)25/h2-11H,1H3
InChIKeyPHPOJBCPWXIELU-UHFFFAOYSA-N
XLogP6.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.22
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 13237071
7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde
CID 142665010
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid;2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 90257110
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 87743733
2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoic acid
CID 3567903
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 54400274
(Z)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 70608647
2-[1-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 68773985
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
ethyl (Z)-4-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-3-methoxypent-2-enoate
CID 13279410
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride?
The IUPAC name of 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride (CID 54189653) is 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride.
What is the SMILES notation for 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride?
The canonical SMILES for 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride is CC(Oc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1)C(=O)Cl.
What is the InChIKey of 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride?
The InChIKey is PHPOJBCPWXIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3O3/c1-11(19(22)26)27-15-5-2-12-3-6-16(9-13(12)8-15)28-18-7-4-14(10-17(18)21)20(23,24)25/h2-11H,1H3.
What are the key properties of 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride?
2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride has a molecular weight of 429.22 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride is sourced from PubChem (CID 54189653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).