ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine

C14H23FN2 — CID 168942575

IUPACethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
SMILESCC.CC(C)N1CC=CC2=C1N(C)CC(F)=C2
InChIInChI=1S/C12H17FN2.C2H6/c1-9(2)15-6-4-5-10-7-11(13)8-14(3)12(10)15;1-2/h4-5,7,9H,6,8H2,1-3H3;1-2H3
InChIKeyGOTWWUAKOZIJAB-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.30
Rot. Bonds1

About ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine

ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine (PubChem CID 168942575) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine.

Molecular Properties

Compound Nameethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
PubChem CID168942575
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Nameethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine
SMILESCC.CC(C)N1CC=CC2=C1N(C)CC(F)=C2
InChIInChI=1S/C12H17FN2.C2H6/c1-9(2)15-6-4-5-10-7-11(13)8-14(3)12(10)15;1-2/h4-5,7,9H,6,8H2,1-3H3;1-2H3
InChIKeyGOTWWUAKOZIJAB-UHFFFAOYSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.30
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
3-Fluoro-1,8-di(propan-2-yl)-2,7-dihydro-1,8-naphthyridine
CID 177033305
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
N-ethyl-N-[(5-methyl-2H-pyridin-1-yl)methyl]ethanamine
CID 20646155

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine?
The IUPAC name of ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine (CID 168942575) is ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine.
What is the SMILES notation for ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine?
The canonical SMILES for ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine is CC.CC(C)N1CC=CC2=C1N(C)CC(F)=C2.
What is the InChIKey of ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine?
The InChIKey is GOTWWUAKOZIJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2.C2H6/c1-9(2)15-6-4-5-10-7-11(13)8-14(3)12(10)15;1-2/h4-5,7,9H,6,8H2,1-3H3;1-2H3.
What are the key properties of ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine?
ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine has a molecular weight of 238.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-1-methyl-8-propan-2-yl-2,7-dihydro-1,8-naphthyridine is sourced from PubChem (CID 168942575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).