6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

C16H26FNO — CID 11780509

IUPAC6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCCCN(CCCF)C1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C16H26FNO/c1-2-10-18(11-4-9-17)14-7-8-15-13(12-14)5-3-6-16(15)19/h14H,2-12H2,1H3
InChIKeyNPIYYZMVYLRLON-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.66
Rot. Bonds6

About 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 11780509) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID11780509
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCCCN(CCCF)C1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C16H26FNO/c1-2-10-18(11-4-9-17)14-7-8-15-13(12-14)5-3-6-16(15)19/h14H,2-12H2,1H3
InChIKeyNPIYYZMVYLRLON-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 11780509) is 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is CCCN(CCCF)C1CCC2=C(CCCC2=O)C1.
What is the InChIKey of 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is NPIYYZMVYLRLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-2-10-18(11-4-9-17)14-7-8-15-13(12-14)5-3-6-16(15)19/h14H,2-12H2,1H3.
What are the key properties of 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one has a molecular weight of 267.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 11780509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).