1-(diethylamino)-6,6,6-trifluorohexan-3-one

C10H18F3NO — CID 79077397

IUPAC1-(diethylamino)-6,6,6-trifluorohexan-3-one
SMILESCCN(CC)CCC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-14(4-2)8-6-9(15)5-7-10(11,12)13/h3-8H2,1-2H3
InChIKeyBIZPCABPWRQEQE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds7

About 1-(diethylamino)-6,6,6-trifluorohexan-3-one

1-(diethylamino)-6,6,6-trifluorohexan-3-one (PubChem CID 79077397) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(diethylamino)-6,6,6-trifluorohexan-3-one.

Molecular Properties

Compound Name1-(diethylamino)-6,6,6-trifluorohexan-3-one
PubChem CID79077397
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-(diethylamino)-6,6,6-trifluorohexan-3-one
SMILESCCN(CC)CCC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-14(4-2)8-6-9(15)5-7-10(11,12)13/h3-8H2,1-2H3
InChIKeyBIZPCABPWRQEQE-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
1,1,1-trifluorooctan-4-one
CID 79404361
1-(diethylamino)heptan-3-one
CID 21485652
1,1,1-trifluorotetradecan-4-one
CID 79954066
3-(diethylamino)propanoyl fluoride
CID 139607789
1-(diethylamino)-5-methylhex-5-en-3-one
CID 79180161
N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 175431120
1-chloro-5,5,5-trifluoropentan-2-one
CID 79002115
1,1,1-trifluoro-7-methoxyheptan-4-one
CID 65092607
2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 60685882
2,2,3,3,3-pentafluoropropyl 3-(diethylamino)propanoate
CID 59204036
3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-6,6,6-trifluorohexan-3-one?
The IUPAC name of 1-(diethylamino)-6,6,6-trifluorohexan-3-one (CID 79077397) is 1-(diethylamino)-6,6,6-trifluorohexan-3-one.
What is the SMILES notation for 1-(diethylamino)-6,6,6-trifluorohexan-3-one?
The canonical SMILES for 1-(diethylamino)-6,6,6-trifluorohexan-3-one is CCN(CC)CCC(=O)CCC(F)(F)F.
What is the InChIKey of 1-(diethylamino)-6,6,6-trifluorohexan-3-one?
The InChIKey is BIZPCABPWRQEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-14(4-2)8-6-9(15)5-7-10(11,12)13/h3-8H2,1-2H3.
What are the key properties of 1-(diethylamino)-6,6,6-trifluorohexan-3-one?
1-(diethylamino)-6,6,6-trifluorohexan-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-6,6,6-trifluorohexan-3-one is sourced from PubChem (CID 79077397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).