1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one

C11H18F3NO — CID 174959086

IUPAC1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one
SMILESCCC(CCC(=O)N1CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-2-9(11(12,13)14)5-6-10(16)15-7-3-4-8-15/h9H,2-8H2,1H3
InChIKeyKVENMEDOJIGOQT-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.98
Rot. Bonds4

About 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one

1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one (PubChem CID 174959086) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one
PubChem CID174959086
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one
SMILESCCC(CCC(=O)N1CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-2-9(11(12,13)14)5-6-10(16)15-7-3-4-8-15/h9H,2-8H2,1H3
InChIKeyKVENMEDOJIGOQT-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one (CID 174959086) is 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one is CCC(CCC(=O)N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one?
The InChIKey is KVENMEDOJIGOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-9(11(12,13)14)5-6-10(16)15-7-3-4-8-15/h9H,2-8H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one?
1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-4-(trifluoromethyl)hexan-1-one is sourced from PubChem (CID 174959086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).