1-(diethylamino)-7,7,7-trifluoroheptan-3-one

C11H20F3NO — CID 115515964

IUPAC1-(diethylamino)-7,7,7-trifluoroheptan-3-one
SMILESCCN(CC)CCC(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-15(4-2)9-7-10(16)6-5-8-11(12,13)14/h3-9H2,1-2H3
InChIKeyYMRNFSAYKXZJIP-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.02
Rot. Bonds8

About 1-(diethylamino)-7,7,7-trifluoroheptan-3-one

1-(diethylamino)-7,7,7-trifluoroheptan-3-one (PubChem CID 115515964) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(diethylamino)-7,7,7-trifluoroheptan-3-one.

Molecular Properties

Compound Name1-(diethylamino)-7,7,7-trifluoroheptan-3-one
PubChem CID115515964
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-(diethylamino)-7,7,7-trifluoroheptan-3-one
SMILESCCN(CC)CCC(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-15(4-2)9-7-10(16)6-5-8-11(12,13)14/h3-9H2,1-2H3
InChIKeyYMRNFSAYKXZJIP-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)-6,6,6-trifluorohexan-3-one
CID 79077397
1-(diethylamino)heptan-3-one
CID 21485652
1,1,1-trifluorooctan-4-one
CID 79404361
11-bromo-1,1,1-trifluoroundecan-6-one
CID 125481301
N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 115518473
9-amino-1,1,1-trifluorononan-5-one
CID 116572046
1,1,1-trifluorotetradecan-4-one
CID 79954066
3-(diethylamino)propanoyl fluoride
CID 139607789
7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one
CID 116556500
11,11,11-trifluoroundecane-4,6-dione
CID 175186134
2-amino-8,8,8-trifluoro-2-methyloctan-4-one
CID 116581149
3-[bis[3-[bis[6-(diethylamino)-3-oxohexyl]amino]propyl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 165064161

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-7,7,7-trifluoroheptan-3-one?
The IUPAC name of 1-(diethylamino)-7,7,7-trifluoroheptan-3-one (CID 115515964) is 1-(diethylamino)-7,7,7-trifluoroheptan-3-one.
What is the SMILES notation for 1-(diethylamino)-7,7,7-trifluoroheptan-3-one?
The canonical SMILES for 1-(diethylamino)-7,7,7-trifluoroheptan-3-one is CCN(CC)CCC(=O)CCCC(F)(F)F.
What is the InChIKey of 1-(diethylamino)-7,7,7-trifluoroheptan-3-one?
The InChIKey is YMRNFSAYKXZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-15(4-2)9-7-10(16)6-5-8-11(12,13)14/h3-9H2,1-2H3.
What are the key properties of 1-(diethylamino)-7,7,7-trifluoroheptan-3-one?
1-(diethylamino)-7,7,7-trifluoroheptan-3-one has a molecular weight of 239.28 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-7,7,7-trifluoroheptan-3-one is sourced from PubChem (CID 115515964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).