1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene

C28H32F2 — CID 170571633

IUPAC1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2c1C(C1CC1)CC2.CC(C)c1cccc2ccc(F)c(F)c12
InChIInChI=1S/C15H20.C13H12F2/c1-10(2)13-5-3-4-12-8-9-14(15(12)13)11-6-7-11;1-8(2)10-5-3-4-9-6-7-11(14)13(15)12(9)10/h3-5,10-11,14H,6-9H2,1-2H3;3-8H,1-2H3
InChIKeyHERYWEBIVUSQIH-UHFFFAOYSA-N
MW406.56 g/mol
LogP8.49
Rot. Bonds3

About 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene

1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene (PubChem CID 170571633) has the molecular formula C28H32F2 and a molecular weight of 406.56 g/mol. Its IUPAC name is 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene
PubChem CID170571633
Molecular FormulaC28H32F2
Molecular Weight406.56 g/mol
Exact Mass406.25
IUPAC Name1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2c1C(C1CC1)CC2.CC(C)c1cccc2ccc(F)c(F)c12
InChIInChI=1S/C15H20.C13H12F2/c1-10(2)13-5-3-4-12-8-9-14(15(12)13)11-6-7-11;1-8(2)10-5-3-4-9-6-7-11(14)13(15)12(9)10/h3-5,10-11,14H,6-9H2,1-2H3;3-8H,1-2H3
InChIKeyHERYWEBIVUSQIH-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Methylcholanthrene
CID 1674
Fluoranthene
CID 9154
11H-Benzo(a)fluorene
CID 9195
11H-Benzo(b)fluorene
CID 9201
7H-Benzo(c)fluorene
CID 9150
2-Methylfluoranthene
CID 35702
Methylenephenanthrene
CID 9147
Jwh-176
CID 53249197
3-Methylfluoranthene
CID 15565
Aceanthrylene, 1,2-dihydro-
CID 160539
1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene
CID 140685644
3'-Methyl-1,2-cyclopentenophenanthrene
CID 196984

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene?
The IUPAC name of 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene (CID 170571633) is 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene.
What is the SMILES notation for 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene?
The canonical SMILES for 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene is CC(C)c1cccc2c1C(C1CC1)CC2.CC(C)c1cccc2ccc(F)c(F)c12.
What is the InChIKey of 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene?
The InChIKey is HERYWEBIVUSQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.C13H12F2/c1-10(2)13-5-3-4-12-8-9-14(15(12)13)11-6-7-11;1-8(2)10-5-3-4-9-6-7-11(14)13(15)12(9)10/h3-5,10-11,14H,6-9H2,1-2H3;3-8H,1-2H3.
What are the key properties of 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene?
1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene has a molecular weight of 406.56 g/mol, XLogP of 8.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene is sourced from PubChem (CID 170571633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).