3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene

C16H22 — CID 165374450

IUPAC3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
SMILESCC(C)C1CCC2Cc3ccccc3C2C1
InChIInChI=1S/C16H22/c1-11(2)12-7-8-14-9-13-5-3-4-6-15(13)16(14)10-12/h3-6,11-12,14,16H,7-10H2,1-2H3
InChIKeyHHBLWYZEWBNCQL-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.40
Rot. Bonds1

About 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene

3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene (PubChem CID 165374450) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene.

Molecular Properties

Compound Name3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
PubChem CID165374450
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
SMILESCC(C)C1CCC2Cc3ccccc3C2C1
InChIInChI=1S/C16H22/c1-11(2)12-7-8-14-9-13-5-3-4-6-15(13)16(14)10-12/h3-6,11-12,14,16H,7-10H2,1-2H3
InChIKeyHHBLWYZEWBNCQL-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
CID 70066114
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013335
(2S,4aR,10bS)-2-propan-2-yl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 71614470
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729234
1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81029186
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025338
N-(4-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 63421668

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The IUPAC name of 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene (CID 165374450) is 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene.
What is the SMILES notation for 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The canonical SMILES for 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene is CC(C)C1CCC2Cc3ccccc3C2C1.
What is the InChIKey of 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The InChIKey is HHBLWYZEWBNCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-11(2)12-7-8-14-9-13-5-3-4-6-15(13)16(14)10-12/h3-6,11-12,14,16H,7-10H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene?
3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene has a molecular weight of 214.35 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene is sourced from PubChem (CID 165374450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).