11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine

C19H18F2N2O — CID 143792572

IUPAC11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine
SMILESCCC(C(C)F)C1ON=C2c3cc(F)ccc3-c3ccccc3N21
InChIInChI=1S/C19H18F2N2O/c1-3-13(11(2)20)19-23-17-7-5-4-6-15(17)14-9-8-12(21)10-16(14)18(23)22-24-19/h4-11,13,19H,3H2,1-2H3
InChIKeyWRVPPWWZTRUHDJ-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.71
Rot. Bonds3

About 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine

11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine (PubChem CID 143792572) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine.

Molecular Properties

Compound Name11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine
PubChem CID143792572
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC Name11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine
SMILESCCC(C(C)F)C1ON=C2c3cc(F)ccc3-c3ccccc3N21
InChIInChI=1S/C19H18F2N2O/c1-3-13(11(2)20)19-23-17-7-5-4-6-15(17)14-9-8-12(21)10-16(14)18(23)22-24-19/h4-11,13,19H,3H2,1-2H3
InChIKeyWRVPPWWZTRUHDJ-UHFFFAOYSA-N
XLogP4.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylhexan-3-yl)-11-(trifluoromethyl)-3H-[1,2,4]thiadiazolo[4,3-f]phenanthridine;ethane
CID 143792575
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CID 70261734
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1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
(2Z)-2-(2-fluorofluoren-9-ylidene)acetic acid
CID 82578717
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
[(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
CID 11530341
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine?
The IUPAC name of 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine (CID 143792572) is 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine.
What is the SMILES notation for 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine?
The canonical SMILES for 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine is CCC(C(C)F)C1ON=C2c3cc(F)ccc3-c3ccccc3N21.
What is the InChIKey of 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine?
The InChIKey is WRVPPWWZTRUHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c1-3-13(11(2)20)19-23-17-7-5-4-6-15(17)14-9-8-12(21)10-16(14)18(23)22-24-19/h4-11,13,19H,3H2,1-2H3.
What are the key properties of 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine?
11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine has a molecular weight of 328.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-3-(2-fluoropentan-3-yl)-3H-[1,2,4]oxadiazolo[4,3-f]phenanthridine is sourced from PubChem (CID 143792572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).