7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde

C18H10ClF3O2 — CID 142665010

IUPAC7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1
InChIInChI=1S/C18H10ClF3O2/c19-16-9-14(18(20,21)22)4-6-17(16)24-15-5-3-12-2-1-11(10-23)7-13(12)8-15/h1-10H
InChIKeyWLCDAZSADSDZJB-UHFFFAOYSA-N
MW350.72 g/mol
LogP6.12
Rot. Bonds3

About 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde

7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde (PubChem CID 142665010) has the molecular formula C18H10ClF3O2 and a molecular weight of 350.72 g/mol. Its IUPAC name is 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde
PubChem CID142665010
Molecular FormulaC18H10ClF3O2
Molecular Weight350.72 g/mol
Exact Mass350.03
IUPAC Name7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1
InChIInChI=1S/C18H10ClF3O2/c19-16-9-14(18(20,21)22)4-6-17(16)24-15-5-3-12-2-1-11(10-23)7-13(12)8-15/h1-10H
InChIKeyWLCDAZSADSDZJB-UHFFFAOYSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.72
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoyl chloride
CID 54189653
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
CID 89104061
CID 89104061
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
CID 14255780
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine
CID 14279953

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde?
The IUPAC name of 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde (CID 142665010) is 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde.
What is the SMILES notation for 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde?
The canonical SMILES for 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde is O=Cc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1.
What is the InChIKey of 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde?
The InChIKey is WLCDAZSADSDZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3O2/c19-16-9-14(18(20,21)22)4-6-17(16)24-15-5-3-12-2-1-11(10-23)7-13(12)8-15/h1-10H.
What are the key properties of 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde?
7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde has a molecular weight of 350.72 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalene-2-carbaldehyde is sourced from PubChem (CID 142665010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).