1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one

C10H16F3NO — CID 116557698

IUPAC1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one
SMILESO=C(CCCC(F)(F)F)CNCC1CC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)5-1-2-9(15)7-14-6-8-3-4-8/h8,14H,1-7H2
InChIKeyFCMPEBAURGBGIC-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.29
Rot. Bonds7

About 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one

1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one (PubChem CID 116557698) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one
PubChem CID116557698
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one
SMILESO=C(CCCC(F)(F)F)CNCC1CC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)5-1-2-9(15)7-14-6-8-3-4-8/h8,14H,1-7H2
InChIKeyFCMPEBAURGBGIC-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one?
The IUPAC name of 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one (CID 116557698) is 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one.
What is the SMILES notation for 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one?
The canonical SMILES for 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one is O=C(CCCC(F)(F)F)CNCC1CC1.
What is the InChIKey of 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one?
The InChIKey is FCMPEBAURGBGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)5-1-2-9(15)7-14-6-8-3-4-8/h8,14H,1-7H2.
What are the key properties of 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one?
1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one has a molecular weight of 223.24 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-6,6,6-trifluorohexan-2-one is sourced from PubChem (CID 116557698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).