4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene

C16H14Cl2F2 — CID 163915148

IUPAC4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene
SMILESFC1=CC2=C(CC1F)CC1(Cl)CC3=CC=CCC3C21Cl
InChIInChI=1S/C16H14Cl2F2/c17-15-7-9-3-1-2-4-11(9)16(15,18)12-6-14(20)13(19)5-10(12)8-15/h1-3,6,11,13H,4-5,7-8H2
InChIKeyQVOKYDIFNQUVEA-UHFFFAOYSA-N
MW315.19 g/mol
LogP5.14
Rot. Bonds

About 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene

4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene (PubChem CID 163915148) has the molecular formula C16H14Cl2F2 and a molecular weight of 315.19 g/mol. Its IUPAC name is 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene.

Molecular Properties

Compound Name4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene
PubChem CID163915148
Molecular FormulaC16H14Cl2F2
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene
SMILESFC1=CC2=C(CC1F)CC1(Cl)CC3=CC=CCC3C21Cl
InChIInChI=1S/C16H14Cl2F2/c17-15-7-9-3-1-2-4-11(9)16(15,18)12-6-14(20)13(19)5-10(12)8-15/h1-3,6,11,13H,4-5,7-8H2
InChIKeyQVOKYDIFNQUVEA-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.19
LogP ≤ 55.14
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

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4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene
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2,3,3a,4-tetrahydro-1H-indene-2-carboxylic acid
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8,8a-dihydro-4H-naphthalen-1-one
CID 57102045
4a,5,8,8a,9,9a-hexahydro-4H-cyclopenta[b]naphthalene
CID 173020633
1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene
CID 101147961
[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane
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1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
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2-sulfonyl-4a,5-dihydro-1H-naphthalene
CID 54064259

Frequently Asked Questions

What is the IUPAC name of 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene?
The IUPAC name of 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene (CID 163915148) is 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene.
What is the SMILES notation for 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene?
The canonical SMILES for 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene is FC1=CC2=C(CC1F)CC1(Cl)CC3=CC=CCC3C21Cl.
What is the InChIKey of 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene?
The InChIKey is QVOKYDIFNQUVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2/c17-15-7-9-3-1-2-4-11(9)16(15,18)12-6-14(20)13(19)5-10(12)8-15/h1-3,6,11,13H,4-5,7-8H2.
What are the key properties of 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene?
4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene has a molecular weight of 315.19 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,9a-dichloro-2,3-difluoro-1,2,4c,5,9,10-hexahydroindeno[1,2-a]indene is sourced from PubChem (CID 163915148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).