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

C13H16 — CID 519137

IUPAC2,3,4,4a,9,9a-hexahydro-1H-fluorene
SMILESc1ccc2c(c1)CC1CCCCC21
InChIInChI=1S/C13H16/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1,3,5,7,11,13H,2,4,6,8-9H2
InChIKeyOSJFWOVKJZKBOA-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.52
Rot. Bonds

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

2,3,4,4a,9,9a-hexahydro-1H-fluorene (PubChem CID 519137) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,3,4,4a,9,9a-hexahydro-1H-fluorene.

Molecular Properties

Compound Name2,3,4,4a,9,9a-hexahydro-1H-fluorene
PubChem CID519137
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2,3,4,4a,9,9a-hexahydro-1H-fluorene
SMILESc1ccc2c(c1)CC1CCCCC21
InChIInChI=1S/C13H16/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1,3,5,7,11,13H,2,4,6,8-9H2
InChIKeyOSJFWOVKJZKBOA-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol
CID 129388444
(1R,9S,17R)-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-triene perchlorate
CID 139057110
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
CID 70066114
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729234
7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 68524779
3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 165374450
(4aR,9aR)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridin-1-ium;hydrochloride
CID 86625805
(4aS,10aS)-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 141032918

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The IUPAC name of 2,3,4,4a,9,9a-hexahydro-1H-fluorene (CID 519137) is 2,3,4,4a,9,9a-hexahydro-1H-fluorene.
What is the SMILES notation for 2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The canonical SMILES for 2,3,4,4a,9,9a-hexahydro-1H-fluorene is c1ccc2c(c1)CC1CCCCC21.
What is the InChIKey of 2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The InChIKey is OSJFWOVKJZKBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1,3,5,7,11,13H,2,4,6,8-9H2.
What are the key properties of 2,3,4,4a,9,9a-hexahydro-1H-fluorene?
2,3,4,4a,9,9a-hexahydro-1H-fluorene has a molecular weight of 172.27 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,9,9a-hexahydro-1H-fluorene is sourced from PubChem (CID 519137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).