7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one

C10H18F3NO — CID 116556500

IUPAC7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one
SMILESCC(C)NCCC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)14-7-5-9(15)4-3-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyAEAMKIHTUKMFFG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.68
Rot. Bonds7

About 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one

7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one (PubChem CID 116556500) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one.

Molecular Properties

Compound Name7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one
PubChem CID116556500
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one
SMILESCC(C)NCCC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)14-7-5-9(15)4-3-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyAEAMKIHTUKMFFG-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(propan-2-ylamino)heptan-3-one
CID 116556374
S-sulfanyl 3-(propan-2-ylamino)propanethioate
CID 134462355
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8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one
CID 105123384
2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 63226957
1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
2-(4,4,4-trifluorobutylamino)propanamide
CID 115513545
1-(propan-2-ylamino)oct-6-yn-3-one
CID 116556591
1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 113323218
1,1,1-trifluorooctan-4-one
CID 79404361
1-ethylsulfonyl-6-(propan-2-ylamino)hexan-3-one
CID 106736244
11,11,11-trifluoroundecane-4,6-dione
CID 175186134

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one?
The IUPAC name of 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one (CID 116556500) is 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one.
What is the SMILES notation for 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one?
The canonical SMILES for 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one is CC(C)NCCC(=O)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one?
The InChIKey is AEAMKIHTUKMFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)14-7-5-9(15)4-3-6-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one?
7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one is sourced from PubChem (CID 116556500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).