4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane

C13H25F — CID 172615254

IUPAC4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
SMILESCC1CC2CCCC(F)C2C1.CCC
InChIInChI=1S/C10H17F.C3H8/c1-7-5-8-3-2-4-10(11)9(8)6-7;1-3-2/h7-10H,2-6H2,1H3;3H2,1-2H3
InChIKeyZPCXPBXIOYPGLM-UHFFFAOYSA-N
MW200.34 g/mol
LogP4.59
Rot. Bonds

About 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane

4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane (PubChem CID 172615254) has the molecular formula C13H25F and a molecular weight of 200.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane.

Molecular Properties

Compound Name4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
PubChem CID172615254
Molecular FormulaC13H25F
Molecular Weight200.34 g/mol
Exact Mass200.19
IUPAC Name4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
SMILESCC1CC2CCCC(F)C2C1.CCC
InChIInChI=1S/C10H17F.C3H8/c1-7-5-8-3-2-4-10(11)9(8)6-7;1-3-2/h7-10H,2-6H2,1H3;3H2,1-2H3
InChIKeyZPCXPBXIOYPGLM-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 172615234
1,2-difluorocyclopentane;propane
CID 171503216
2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 166038561
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765
(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol
CID 115013486
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
4-methyl-2-(3-methylcyclohexyl)cyclohexane-1-thiol
CID 140526288
cis-(1S,2R)-2-fluoro-N-(3-methylcyclobutyl)cyclopentan-1-amine
CID 130921555
(1S,4aR,6R,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751812
(1S,4aS,6S,8aS)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751793

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane?
The IUPAC name of 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane (CID 172615254) is 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane.
What is the SMILES notation for 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane?
The canonical SMILES for 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane is CC1CC2CCCC(F)C2C1.CCC.
What is the InChIKey of 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane?
The InChIKey is ZPCXPBXIOYPGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F.C3H8/c1-7-5-8-3-2-4-10(11)9(8)6-7;1-3-2/h7-10H,2-6H2,1H3;3H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane?
4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane has a molecular weight of 200.34 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane is sourced from PubChem (CID 172615254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).