1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane

C13H21F4N3 — CID 162556334

IUPAC1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane
SMILESFC1(F)CCC(N2CNCN([C@@H]3CCC(F)(F)C3)C2)C1
InChIInChI=1S/C13H21F4N3/c14-12(15)3-1-10(5-12)19-7-18-8-20(9-19)11-2-4-13(16,17)6-11/h10-11,18H,1-9H2/t10-,11?/m1/s1
InChIKeyXKSDDNVEQJUECH-NFJWQWPMSA-N
MW295.32 g/mol
LogP2.44
Rot. Bonds2

About 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane

1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane (PubChem CID 162556334) has the molecular formula C13H21F4N3 and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane.

Molecular Properties

Compound Name1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane
PubChem CID162556334
Molecular FormulaC13H21F4N3
Molecular Weight295.32 g/mol
Exact Mass295.17
IUPAC Name1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane
SMILESFC1(F)CCC(N2CNCN([C@@H]3CCC(F)(F)C3)C2)C1
InChIInChI=1S/C13H21F4N3/c14-12(15)3-1-10(5-12)19-7-18-8-20(9-19)11-2-4-13(16,17)6-11/h10-11,18H,1-9H2/t10-,11?/m1/s1
InChIKeyXKSDDNVEQJUECH-NFJWQWPMSA-N
XLogP2.44
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170394797
3,3-difluoro-1-azabicyclo[3.2.0]heptane
CID 170594672
1-(3,3-difluorocyclobutyl)piperazine
CID 126739503
1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine
CID 146013256
1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine
CID 126539817
2-(3,3-difluorocyclopentyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol
CID 167898149
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
N-[(1-aminocyclobutyl)methyl]-3,3-difluorocyclopentan-1-amine
CID 130654103
3,8-diazabicyclo[3.2.1]octan-8-yl-(4,4-difluorocyclohexyl)methanone
CID 145332295
(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
CID 177192029
N-(2,2-difluoroethyl)-3,3-difluorocyclopentan-1-amine
CID 130831231

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane?
The IUPAC name of 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane (CID 162556334) is 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane.
What is the SMILES notation for 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane?
The canonical SMILES for 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane is FC1(F)CCC(N2CNCN([C@@H]3CCC(F)(F)C3)C2)C1.
What is the InChIKey of 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane?
The InChIKey is XKSDDNVEQJUECH-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H21F4N3/c14-12(15)3-1-10(5-12)19-7-18-8-20(9-19)11-2-4-13(16,17)6-11/h10-11,18H,1-9H2/t10-,11?/m1/s1.
What are the key properties of 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane?
1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane has a molecular weight of 295.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane is sourced from PubChem (CID 162556334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).