2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene

C16H12Cl2F2 — CID 107477400

IUPAC2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cc(Cl)c(C(Cl)C2Cc3ccccc3C2)cc1F
InChIInChI=1S/C16H12Cl2F2/c17-13-8-15(20)14(19)7-12(13)16(18)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,16H,5-6H2
InChIKeyVUATVKDFLJWINP-UHFFFAOYSA-N
MW313.17 g/mol
LogP5.31
Rot. Bonds2

About 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene

2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 107477400) has the molecular formula C16H12Cl2F2 and a molecular weight of 313.17 g/mol. Its IUPAC name is 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID107477400
Molecular FormulaC16H12Cl2F2
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cc(Cl)c(C(Cl)C2Cc3ccccc3C2)cc1F
InChIInChI=1S/C16H12Cl2F2/c17-13-8-15(20)14(19)7-12(13)16(18)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,16H,5-6H2
InChIKeyVUATVKDFLJWINP-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.17
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 107476284
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892796
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893771
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893815
2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893752
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126530
2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene
CID 106893999
1-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene
CID 107477309
[(2-chlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 105234082
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene (CID 107477400) is 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene is Fc1cc(Cl)c(C(Cl)C2Cc3ccccc3C2)cc1F.
What is the InChIKey of 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is VUATVKDFLJWINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F2/c17-13-8-15(20)14(19)7-12(13)16(18)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,16H,5-6H2.
What are the key properties of 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 313.17 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 107477400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).