6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane

C18H22F2 — CID 162754580

IUPAC6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane
SMILESCC12CC3C(CCC(F)F)C1CC3(c1ccccc1)C2
InChIInChI=1S/C18H22F2/c1-17-9-15-13(7-8-16(19)20)14(17)10-18(15,11-17)12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3
InChIKeyNOBNRCZKWBVAEB-UHFFFAOYSA-N
MW276.37 g/mol
LogP5.04
Rot. Bonds4

About 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane

6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane (PubChem CID 162754580) has the molecular formula C18H22F2 and a molecular weight of 276.37 g/mol. Its IUPAC name is 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane.

Molecular Properties

Compound Name6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane
PubChem CID162754580
Molecular FormulaC18H22F2
Molecular Weight276.37 g/mol
Exact Mass276.17
IUPAC Name6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane
SMILESCC12CC3C(CCC(F)F)C1CC3(c1ccccc1)C2
InChIInChI=1S/C18H22F2/c1-17-9-15-13(7-8-16(19)20)14(17)10-18(15,11-17)12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3
InChIKeyNOBNRCZKWBVAEB-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane with MolForge

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Related Compounds

[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[3-phenyl-6-(2-phenylethyl)-1-tricyclo[3.3.0.03,7]octanyl]methanethione
CID 162525813
N-[4-(aminomethyl)cyclohexyl]-6-(3,3-difluoropropyl)-3-phenyladamantane-1-carboxamide
CID 175630052
(1R,4R,5R)-4-methyl-1-phenylbicyclo[3.1.0]hexan-3-one
CID 102073456
6-(2,2-difluoroethyl)-6-ethyl-1-methyl-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane
CID 162525982
[(1R,2R)-1-methyl-2-(3-methylbutyl)cyclopropyl]benzene
CID 166439838
6-(2,2-difluoroethyl)-3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbothialdehyde
CID 162525839
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
3-(2,2-difluoroethyl)-7-ethyl-5-phenylbicyclo[3.3.1]nonane-1-carbothioamide
CID 162525470
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
(1R,2S,3R,4S,5S)-3-ethyl-2,3-dimethyl-4-phenyltricyclo[3.2.0.02,4]heptane
CID 124835319
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
CID 15441965

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane?
The IUPAC name of 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane (CID 162754580) is 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane.
What is the SMILES notation for 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane?
The canonical SMILES for 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane is CC12CC3C(CCC(F)F)C1CC3(c1ccccc1)C2.
What is the InChIKey of 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane?
The InChIKey is NOBNRCZKWBVAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2/c1-17-9-15-13(7-8-16(19)20)14(17)10-18(15,11-17)12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3.
What are the key properties of 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane?
6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane has a molecular weight of 276.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropropyl)-1-methyl-3-phenyltricyclo[3.3.0.03,7]octane is sourced from PubChem (CID 162754580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).