4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene

C13H14F2O — CID 145111152

IUPAC4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene
SMILESC=C(C)C1Cc2cccc(OC(F)F)c2C1
InChIInChI=1S/C13H14F2O/c1-8(2)10-6-9-4-3-5-12(11(9)7-10)16-13(14)15/h3-5,10,13H,1,6-7H2,2H3
InChIKeyJTMXFQOKZKVBCD-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.58
Rot. Bonds3

About 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene

4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene (PubChem CID 145111152) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene
PubChem CID145111152
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene
SMILESC=C(C)C1Cc2cccc(OC(F)F)c2C1
InChIInChI=1S/C13H14F2O/c1-8(2)10-6-9-4-3-5-12(11(9)7-10)16-13(14)15/h3-5,10,13H,1,6-7H2,2H3
InChIKeyJTMXFQOKZKVBCD-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62786265
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
[(6S,7S)-6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
CID 95480102
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine
CID 126992246
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
5-(difluoromethoxy)-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 64689196
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
7-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 16786288
2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 11402917

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene?
The IUPAC name of 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene (CID 145111152) is 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene is C=C(C)C1Cc2cccc(OC(F)F)c2C1.
What is the InChIKey of 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene?
The InChIKey is JTMXFQOKZKVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-8(2)10-6-9-4-3-5-12(11(9)7-10)16-13(14)15/h3-5,10,13H,1,6-7H2,2H3.
What are the key properties of 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene?
4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene has a molecular weight of 224.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-prop-1-en-2-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 145111152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).