3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine

C14H21FN2 — CID 177033305

IUPAC3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine
SMILESCC(C)N1CC=CC2=C1N(C(C)C)CC(F)=C2
InChIInChI=1S/C14H21FN2/c1-10(2)16-7-5-6-12-8-13(15)9-17(11(3)4)14(12)16/h5-6,8,10-11H,7,9H2,1-4H3
InChIKeyPMBGDBYURRDVBP-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.06
Rot. Bonds2

About 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine

3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine (PubChem CID 177033305) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine.

Molecular Properties

Compound Name3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine
PubChem CID177033305
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine
SMILESCC(C)N1CC=CC2=C1N(C(C)C)CC(F)=C2
InChIInChI=1S/C14H21FN2/c1-10(2)16-7-5-6-12-8-13(15)9-17(11(3)4)14(12)16/h5-6,8,10-11H,7,9H2,1-4H3
InChIKeyPMBGDBYURRDVBP-UHFFFAOYSA-N
XLogP3.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine
CID 167226632
3-Fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
CID 168942576
5-ethenyl-3-fluoro-N-methyl-N,1-di(propan-2-yl)-2H-pyridin-6-amine
CID 172328459
1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-N',N'-di(propan-2-yl)methanediamine
CID 134923776
1,8-Dimethyl-2,3,7,8a-tetrahydro-1,8-naphthyridine
CID 123778151
Ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
CID 168942575
N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine
CID 20646155

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine?
The IUPAC name of 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine (CID 177033305) is 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine.
What is the SMILES notation for 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine?
The canonical SMILES for 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine is CC(C)N1CC=CC2=C1N(C(C)C)CC(F)=C2.
What is the InChIKey of 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine?
The InChIKey is PMBGDBYURRDVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)16-7-5-6-12-8-13(15)9-17(11(3)4)14(12)16/h5-6,8,10-11H,7,9H2,1-4H3.
What are the key properties of 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine?
3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine has a molecular weight of 236.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine is sourced from PubChem (CID 177033305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).