(4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C15H17ClF2O2 — CID 115814122

IUPAC(4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)c2cc(F)c(Cl)cc2F)C(C)(C)O1
InChIInChI=1S/C15H17ClF2O2/c1-14(2)7-9(15(3,4)20-14)13(19)8-5-12(18)10(16)6-11(8)17/h5-6,9H,7H2,1-4H3
InChIKeyHODAJRFFFIHZLU-UHFFFAOYSA-N
MW302.75 g/mol
LogP4.39
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 115814122) has the molecular formula C15H17ClF2O2 and a molecular weight of 302.75 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID115814122
Molecular FormulaC15H17ClF2O2
Molecular Weight302.75 g/mol
Exact Mass302.09
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)c2cc(F)c(Cl)cc2F)C(C)(C)O1
InChIInChI=1S/C15H17ClF2O2/c1-14(2)7-9(15(3,4)20-14)13(19)8-5-12(18)10(16)6-11(8)17/h5-6,9H,7H2,1-4H3
InChIKeyHODAJRFFFIHZLU-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 106865210
(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115813985
(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114624557
(2-chloro-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814048
(4-bromo-3-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814065
(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814054
(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 105134922
(5-iodothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814115
(4-chloro-2,5-difluorophenyl)-(oxan-3-yl)methanone
CID 107138527
2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622360
2,3-dihydro-1H-inden-5-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115813972
cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 103449867

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 115814122) is (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)c2cc(F)c(Cl)cc2F)C(C)(C)O1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is HODAJRFFFIHZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2O2/c1-14(2)7-9(15(3,4)20-14)13(19)8-5-12(18)10(16)6-11(8)17/h5-6,9H,7H2,1-4H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 302.75 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 115814122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).