(3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene

C12H19F — CID 135252320

IUPAC(3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
SMILESFC1C2CCCC2CC2CCC[C@H]21
InChIInChI=1S/C12H19F/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h8-12H,1-7H2/t8?,9?,10-,11?,12?/m1/s1
InChIKeyGKFFYLZFTKOUPX-JWUQVZSFSA-N
MW182.28 g/mol
LogP3.56
Rot. Bonds

About (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene

(3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene (PubChem CID 135252320) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene.

Molecular Properties

Compound Name(3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
PubChem CID135252320
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Name(3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
SMILESFC1C2CCCC2CC2CCC[C@H]21
InChIInChI=1S/C12H19F/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h8-12H,1-7H2/t8?,9?,10-,11?,12?/m1/s1
InChIKeyGKFFYLZFTKOUPX-JWUQVZSFSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene with MolForge

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Related Compounds

tricyclo[4.4.0.02,8]decane
CID 585864
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
tricyclo[4.3.1.12,5]undecane
CID 13070377
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
(3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole
CID 170152236

Frequently Asked Questions

What is the IUPAC name of (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene?
The IUPAC name of (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene (CID 135252320) is (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene.
What is the SMILES notation for (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene?
The canonical SMILES for (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene is FC1C2CCCC2CC2CCC[C@H]21.
What is the InChIKey of (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene?
The InChIKey is GKFFYLZFTKOUPX-JWUQVZSFSA-N. The full InChI is InChI=1S/C12H19F/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h8-12H,1-7H2/t8?,9?,10-,11?,12?/m1/s1.
What are the key properties of (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene?
(3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene has a molecular weight of 182.28 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene is sourced from PubChem (CID 135252320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).