6-cyclohexyl-3-fluorophenanthridine

C19H18FN — CID 102531924

IUPAC6-cyclohexyl-3-fluorophenanthridine
SMILESFc1ccc2c(c1)nc(C1CCCCC1)c1ccccc12
InChIInChI=1S/C19H18FN/c20-14-10-11-16-15-8-4-5-9-17(15)19(21-18(16)12-14)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2
InChIKeyHMYUEIVNFZFWPA-UHFFFAOYSA-N
MW279.36 g/mol
LogP5.57
Rot. Bonds1

About 6-cyclohexyl-3-fluorophenanthridine

6-cyclohexyl-3-fluorophenanthridine (PubChem CID 102531924) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-cyclohexyl-3-fluorophenanthridine.

Molecular Properties

Compound Name6-cyclohexyl-3-fluorophenanthridine
PubChem CID102531924
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name6-cyclohexyl-3-fluorophenanthridine
SMILESFc1ccc2c(c1)nc(C1CCCCC1)c1ccccc12
InChIInChI=1S/C19H18FN/c20-14-10-11-16-15-8-4-5-9-17(15)19(21-18(16)12-14)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2
InChIKeyHMYUEIVNFZFWPA-UHFFFAOYSA-N
XLogP5.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyl-7-fluoroquinazolin-2-amine
CID 105489449
6-cyclohexylphenanthridine-8-carbonitrile
CID 102531920
4-cyclohexylquinazolin-2-amine
CID 66520631
6-cyclobutyl-2-methylphenanthridine
CID 132849259
6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine
CID 19868663
2-fluorotriphenylene
CID 23233895
4-cyclohexyl-2-phenoxyquinazoline
CID 44519771
1-cycloundecylisoquinoline
CID 137392148
(3R,5S)-5-(6-cyclopropyl-10-fluorobenzo[k]phenanthridin-8-yl)-3,5-dihydroxypentanoic acid
CID 125314534
1-cyclohexyl-4-methylisoquinoline
CID 72544132
7-fluoro-2-(oxan-3-yl)quinolin-3-ol
CID 165476620
2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-fluorophenanthridine?
The IUPAC name of 6-cyclohexyl-3-fluorophenanthridine (CID 102531924) is 6-cyclohexyl-3-fluorophenanthridine.
What is the SMILES notation for 6-cyclohexyl-3-fluorophenanthridine?
The canonical SMILES for 6-cyclohexyl-3-fluorophenanthridine is Fc1ccc2c(c1)nc(C1CCCCC1)c1ccccc12.
What is the InChIKey of 6-cyclohexyl-3-fluorophenanthridine?
The InChIKey is HMYUEIVNFZFWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c20-14-10-11-16-15-8-4-5-9-17(15)19(21-18(16)12-14)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2.
What are the key properties of 6-cyclohexyl-3-fluorophenanthridine?
6-cyclohexyl-3-fluorophenanthridine has a molecular weight of 279.36 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-fluorophenanthridine is sourced from PubChem (CID 102531924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).