1-prop-1-ynyl-9H-fluorene

C16H12 — CID 151757411

IUPAC1-prop-1-ynyl-9H-fluorene
SMILESCC#Cc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H12/c1-2-6-12-8-5-10-15-14-9-4-3-7-13(14)11-16(12)15/h3-5,7-10H,11H2,1H3
InChIKeyRPVMTQOEZQDAJJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.63
Rot. Bonds

About 1-prop-1-ynyl-9H-fluorene

1-prop-1-ynyl-9H-fluorene (PubChem CID 151757411) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-prop-1-ynyl-9H-fluorene.

Molecular Properties

Compound Name1-prop-1-ynyl-9H-fluorene
PubChem CID151757411
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Name1-prop-1-ynyl-9H-fluorene
SMILESCC#Cc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H12/c1-2-6-12-8-5-10-15-14-9-4-3-7-13(14)11-16(12)15/h3-5,7-10H,11H2,1H3
InChIKeyRPVMTQOEZQDAJJ-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
Fluorenylsilane
CID 22104606
3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
CID 141495090
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene
CID 157442256
CID 123562270
CID 123562270
bis(9H-fluoren-1-yl)-dimethylgermane
CID 22068853
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
bis(9H-fluoren-1-yl)mercury
CID 154196677
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1,2-bis(2-ethynylphenyl)-9H-fluorene
CID 139911372
9H-fluoren-1-ol;prop-1-ene
CID 159607408

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-ynyl-9H-fluorene?
The IUPAC name of 1-prop-1-ynyl-9H-fluorene (CID 151757411) is 1-prop-1-ynyl-9H-fluorene.
What is the SMILES notation for 1-prop-1-ynyl-9H-fluorene?
The canonical SMILES for 1-prop-1-ynyl-9H-fluorene is CC#Cc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-prop-1-ynyl-9H-fluorene?
The InChIKey is RPVMTQOEZQDAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12/c1-2-6-12-8-5-10-15-14-9-4-3-7-13(14)11-16(12)15/h3-5,7-10H,11H2,1H3.
What are the key properties of 1-prop-1-ynyl-9H-fluorene?
1-prop-1-ynyl-9H-fluorene has a molecular weight of 204.27 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-ynyl-9H-fluorene is sourced from PubChem (CID 151757411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).