(1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene

C13H14F2O — CID 67058299

IUPAC(1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene
SMILESC=CCO[C@H]1CCc2c(C(F)F)cccc21
InChIInChI=1S/C13H14F2O/c1-2-8-16-12-7-6-9-10(12)4-3-5-11(9)13(14)15/h2-5,12-13H,1,6-8H2/t12-/m0/s1
InChIKeyCQTMLWKNXBLFME-LBPRGKRZSA-N
MW224.25 g/mol
LogP3.81
Rot. Bonds4

About (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene

(1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene (PubChem CID 67058299) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene
PubChem CID67058299
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name(1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene
SMILESC=CCO[C@H]1CCc2c(C(F)F)cccc21
InChIInChI=1S/C13H14F2O/c1-2-8-16-12-7-6-9-10(12)4-3-5-11(9)13(14)15/h2-5,12-13H,1,6-8H2/t12-/m0/s1
InChIKeyCQTMLWKNXBLFME-LBPRGKRZSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.81
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

Methoxyindane
CID 70506
Indene oxide
CID 92838
(1R,2S)-2-Fluoro-1-methoxy-1-phenyl-indan
CID 10977615
9-Methoxy-9H-fluorene
CID 155999
1-Indanyl acetate
CID 233153
(1S,2R)-Indene oxide
CID 1512567
(1R,2S)-epoxyindane
CID 1512568
(3E)-3-(3-but-2-ynoxypropylidene)-1-methoxy-2-methyl-1,2-dihydroindene
CID 16758919
(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene
CID 16759045
(1S)-4-(Trifluoromethyl)indan-1-ol
CID 67058205
(1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 71299622
2-[4-Methyl-3-(trifluoromethyl)phenyl]oxirane
CID 139822692

Frequently Asked Questions

What is the IUPAC name of (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene?
The IUPAC name of (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene (CID 67058299) is (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene is C=CCO[C@H]1CCc2c(C(F)F)cccc21.
What is the InChIKey of (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene?
The InChIKey is CQTMLWKNXBLFME-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14F2O/c1-2-8-16-12-7-6-9-10(12)4-3-5-11(9)13(14)15/h2-5,12-13H,1,6-8H2/t12-/m0/s1.
What are the key properties of (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene?
(1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene has a molecular weight of 224.25 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 67058299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).