2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one

C14H9F5O2 — CID 103750502

IUPAC2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(=O)C(F)(F)C(F)(F)F)ccc2c1
InChIInChI=1S/C14H9F5O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)12(20)13(15,16)14(17,18)19/h2-7H,1H3
InChIKeyDYJCJKNIZRSUIY-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.23
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one (PubChem CID 103750502) has the molecular formula C14H9F5O2 and a molecular weight of 304.21 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
PubChem CID103750502
Molecular FormulaC14H9F5O2
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(=O)C(F)(F)C(F)(F)F)ccc2c1
InChIInChI=1S/C14H9F5O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)12(20)13(15,16)14(17,18)19/h2-7H,1H3
InChIKeyDYJCJKNIZRSUIY-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
4,4,5,5,5-pentafluoro-1-(4-methoxyphenyl)-2-(trifluoromethyl)pentane-1,3-dione
CID 12656487
2,2,3,3,3-pentafluoro-N-[2-(4-methoxyphenyl)-2-oxoethyl]propanamide
CID 584711
3-(6-methoxynaphthalen-2-yl)but-3-en-2-one
CID 142826310
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
CID 67974824
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
CID 42611332
methyl 3-(2,2,3,3,3-pentafluoropropanoyl)benzoate
CID 146011015
2-chloro-3,3,3-trifluoro-2-methoxy-1-(4-methoxyphenyl)propan-1-one
CID 101453823

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one (CID 103750502) is 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one is COc1ccc2cc(C(=O)C(F)(F)C(F)(F)F)ccc2c1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one?
The InChIKey is DYJCJKNIZRSUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)12(20)13(15,16)14(17,18)19/h2-7H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one has a molecular weight of 304.21 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 103750502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).