5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene

C12H14F2 — CID 164603454

IUPAC5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
SMILESC=C.FC(F)c1ccc2c(c1)CCC2
InChIInChI=1S/C10H10F2.C2H4/c11-10(12)9-5-4-7-2-1-3-8(7)6-9;1-2/h4-6,10H,1-3H2;1-2H2
InChIKeyNRTJMNIBNMHPOJ-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.92
Rot. Bonds1

About 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene

5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene (PubChem CID 164603454) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene.

Molecular Properties

Compound Name5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
PubChem CID164603454
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
SMILESC=C.FC(F)c1ccc2c(c1)CCC2
InChIInChI=1S/C10H10F2.C2H4/c11-10(12)9-5-4-7-2-1-3-8(7)6-9;1-2/h4-6,10H,1-3H2;1-2H2
InChIKeyNRTJMNIBNMHPOJ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine
CID 130479547
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 79659812

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene?
The IUPAC name of 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene (CID 164603454) is 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene.
What is the SMILES notation for 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene?
The canonical SMILES for 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene is C=C.FC(F)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene?
The InChIKey is NRTJMNIBNMHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2.C2H4/c11-10(12)9-5-4-7-2-1-3-8(7)6-9;1-2/h4-6,10H,1-3H2;1-2H2.
What are the key properties of 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene?
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene has a molecular weight of 196.24 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene is sourced from PubChem (CID 164603454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).