10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline

C23H30FN — CID 167118987

IUPAC10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
SMILESCCC(C)C1CC=C(F)C2=C1c1nccc(=C(C)C)c1=C(C)C2(C)C
InChIInChI=1S/C23H30FN/c1-8-14(4)17-9-10-18(24)21-20(17)22-19(15(5)23(21,6)7)16(13(2)3)11-12-25-22/h10-12,14,17H,8-9H2,1-7H3
InChIKeyNFOZBEYUMMZYRQ-UHFFFAOYSA-N
MW339.50 g/mol
LogP5.16
Rot. Bonds2

About 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline

10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline (PubChem CID 167118987) has the molecular formula C23H30FN and a molecular weight of 339.50 g/mol. Its IUPAC name is 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
PubChem CID167118987
Molecular FormulaC23H30FN
Molecular Weight339.50 g/mol
Exact Mass339.24
IUPAC Name10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
SMILESCCC(C)C1CC=C(F)C2=C1c1nccc(=C(C)C)c1=C(C)C2(C)C
InChIInChI=1S/C23H30FN/c1-8-14(4)17-9-10-18(24)21-20(17)22-19(15(5)23(21,6)7)16(13(2)3)11-12-25-22/h10-12,14,17H,8-9H2,1-7H3
InChIKeyNFOZBEYUMMZYRQ-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline?
The IUPAC name of 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline (CID 167118987) is 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline.
What is the SMILES notation for 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline?
The canonical SMILES for 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline is CCC(C)C1CC=C(F)C2=C1c1nccc(=C(C)C)c1=C(C)C2(C)C.
What is the InChIKey of 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline?
The InChIKey is NFOZBEYUMMZYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN/c1-8-14(4)17-9-10-18(24)21-20(17)22-19(15(5)23(21,6)7)16(13(2)3)11-12-25-22/h10-12,14,17H,8-9H2,1-7H3.
What are the key properties of 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline?
10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline has a molecular weight of 339.50 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline is sourced from PubChem (CID 167118987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).