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

C16H13ClF2 — CID 55198708

IUPAC5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cc(F)cc(C(Cl)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H13ClF2/c17-16(13-7-14(18)9-15(19)8-13)12-5-4-10-2-1-3-11(10)6-12/h4-9,16H,1-3H2
InChIKeyIVVHKKCRYYNDKR-UHFFFAOYSA-N
MW278.73 g/mol
LogP4.78
Rot. Bonds2

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

5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 55198708) has the molecular formula C16H13ClF2 and a molecular weight of 278.73 g/mol. Its IUPAC name is 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID55198708
Molecular FormulaC16H13ClF2
Molecular Weight278.73 g/mol
Exact Mass278.07
IUPAC Name5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cc(F)cc(C(Cl)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H13ClF2/c17-16(13-7-14(18)9-15(19)8-13)12-5-4-10-2-1-3-11(10)6-12/h4-9,16H,1-3H2
InChIKeyIVVHKKCRYYNDKR-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 103303651
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
CID 107964507
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene (CID 55198708) is 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene is Fc1cc(F)cc(C(Cl)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is IVVHKKCRYYNDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2/c17-16(13-7-14(18)9-15(19)8-13)12-5-4-10-2-1-3-11(10)6-12/h4-9,16H,1-3H2.
What are the key properties of 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene?
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 278.73 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 55198708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).