[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C12H14F6N2O — CID 114489840

IUPAC[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CC=C(C(F)(F)F)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)8-1-5-20(6-2-8)9(21)10(12(16,17)18)3-4-19-7-10/h1,19H,2-7H2
InChIKeySYAZERMUDKZXHY-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.25
Rot. Bonds1

About [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 114489840) has the molecular formula C12H14F6N2O and a molecular weight of 316.25 g/mol. Its IUPAC name is [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID114489840
Molecular FormulaC12H14F6N2O
Molecular Weight316.25 g/mol
Exact Mass316.10
IUPAC Name[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CC=C(C(F)(F)F)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)8-1-5-20(6-2-8)9(21)10(12(16,17)18)3-4-19-7-10/h1,19H,2-7H2
InChIKeySYAZERMUDKZXHY-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708593
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708749
N-ethyl-N-(2-methylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708750
N-methyl-N-prop-2-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81808787
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106313755
(3-propan-2-ylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106981339
4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 113339622
3,6-dihydro-2H-pyridin-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 113581268
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 113581338
(3-methylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591641
[(3S,4S)-4-methylpyrrolidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114085061
N-(3-methylbut-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 114155599

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 114489840) is [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CC=C(C(F)(F)F)CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is SYAZERMUDKZXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O/c13-11(14,15)8-1-5-20(6-2-8)9(21)10(12(16,17)18)3-4-19-7-10/h1,19H,2-7H2.
What are the key properties of [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 316.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 114489840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).