1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one

C8H12F3NO — CID 116555202

IUPAC1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)CNC1CC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-3-7(13)5-12-6-1-2-6/h6,12H,1-5H2
InChIKeyANPWODNHACJULT-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.65
Rot. Bonds5

About 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one

1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one (PubChem CID 116555202) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one
PubChem CID116555202
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)CNC1CC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-3-7(13)5-12-6-1-2-6/h6,12H,1-5H2
InChIKeyANPWODNHACJULT-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Ethylamino)-5,5,5-trifluoropentan-2-one;molecular hydrogen
CID 177981271
Molecular hydrogen;1-(propan-2-ylamino)butan-2-one;1,1,1-trifluoroethane
CID 177981302
6,6,6-Trifluoro-1-(propan-2-ylamino)hexan-2-one
CID 116554937
5,5,5-Trifluoro-1-(propan-2-ylamino)pentan-2-one
CID 116554978
1-(Cyclopropylamino)-6,6,6-trifluorohexan-2-one
CID 116555164
1-(Butan-2-ylamino)-6,6,6-trifluorohexan-2-one
CID 116556231
1-(Butan-2-ylamino)-5,5,5-trifluoropentan-2-one
CID 116556284
1-(Cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one
CID 116557698
1-(Cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one
CID 116557756
1-(Cyclopentylamino)-6,6,6-trifluorohexan-2-one
CID 116559112
1-(Cyclopentylamino)-5,5,5-trifluoropentan-2-one
CID 116559158
1-(Cyclopropylamino)-7,7,7-trifluoroheptan-3-one
CID 116559374

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one (CID 116555202) is 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one is O=C(CCC(F)(F)F)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one?
The InChIKey is ANPWODNHACJULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)4-3-7(13)5-12-6-1-2-6/h6,12H,1-5H2.
What are the key properties of 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one?
1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one has a molecular weight of 195.18 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 116555202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).