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

C9H14F3NO — CID 116557756

IUPAC1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)CNCC1CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)4-3-8(14)6-13-5-7-1-2-7/h7,13H,1-6H2
InChIKeyGMNZYQYGRLTRPM-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.90
Rot. Bonds6

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

1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one (PubChem CID 116557756) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one
PubChem CID116557756
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)CNCC1CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)4-3-8(14)6-13-5-7-1-2-7/h7,13H,1-6H2
InChIKeyGMNZYQYGRLTRPM-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one (CID 116557756) is 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one is O=C(CCC(F)(F)F)CNCC1CC1.
What is the InChIKey of 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one?
The InChIKey is GMNZYQYGRLTRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)4-3-8(14)6-13-5-7-1-2-7/h7,13H,1-6H2.
What are the key properties of 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one?
1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one has a molecular weight of 209.21 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 116557756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).