6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene

C16H13Cl2FO — CID 63434838

IUPAC6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESFc1ccc(C(Cl)c2ccc3c(c2)CCCO3)c(Cl)c1
InChIInChI=1S/C16H13Cl2FO/c17-14-9-12(19)4-5-13(14)16(18)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7H2
InChIKeyPPJGAKKOZLWLCJ-UHFFFAOYSA-N
MW311.18 g/mol
LogP5.13
Rot. Bonds2

About 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene

6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 63434838) has the molecular formula C16H13Cl2FO and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID63434838
Molecular FormulaC16H13Cl2FO
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESFc1ccc(C(Cl)c2ccc3c(c2)CCCO3)c(Cl)c1
InChIInChI=1S/C16H13Cl2FO/c17-14-9-12(19)4-5-13(14)16(18)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7H2
InChIKeyPPJGAKKOZLWLCJ-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.18
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
(2-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027221
1-[2-chloro-4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 82775201
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430264
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene (CID 63434838) is 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene is Fc1ccc(C(Cl)c2ccc3c(c2)CCCO3)c(Cl)c1.
What is the InChIKey of 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is PPJGAKKOZLWLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO/c17-14-9-12(19)4-5-13(14)16(18)11-3-6-15-10(8-11)2-1-7-20-15/h3-6,8-9,16H,1-2,7H2.
What are the key properties of 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene?
6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 311.18 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63434838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).