[2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane

C18H29F6N2OP — CID 145325272

IUPAC[2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane
SMILESCC1CNC(C2CC(F)C(C(F)(F)OC3CC(F)C(F)C(F)C3)C(P)C2)NC1
InChIInChI=1S/C18H29F6N2OP/c1-8-6-25-17(26-7-8)9-2-11(19)15(14(28)3-9)18(23,24)27-10-4-12(20)16(22)13(21)5-10/h8-17,25-26H,2-7,28H2,1H3
InChIKeyFINULNPBLCGUJK-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.54
Rot. Bonds4

About [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane

[2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane (PubChem CID 145325272) has the molecular formula C18H29F6N2OP and a molecular weight of 434.41 g/mol. Its IUPAC name is [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane.

Molecular Properties

Compound Name[2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane
PubChem CID145325272
Molecular FormulaC18H29F6N2OP
Molecular Weight434.41 g/mol
Exact Mass434.19
IUPAC Name[2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane
SMILESCC1CNC(C2CC(F)C(C(F)(F)OC3CC(F)C(F)C(F)C3)C(P)C2)NC1
InChIInChI=1S/C18H29F6N2OP/c1-8-6-25-17(26-7-8)9-2-11(19)15(14(28)3-9)18(23,24)27-10-4-12(20)16(22)13(21)5-10/h8-17,25-26H,2-7,28H2,1H3
InChIKeyFINULNPBLCGUJK-UHFFFAOYSA-N
XLogP3.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane?
The IUPAC name of [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane (CID 145325272) is [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane.
What is the SMILES notation for [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane?
The canonical SMILES for [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane is CC1CNC(C2CC(F)C(C(F)(F)OC3CC(F)C(F)C(F)C3)C(P)C2)NC1.
What is the InChIKey of [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane?
The InChIKey is FINULNPBLCGUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F6N2OP/c1-8-6-25-17(26-7-8)9-2-11(19)15(14(28)3-9)18(23,24)27-10-4-12(20)16(22)13(21)5-10/h8-17,25-26H,2-7,28H2,1H3.
What are the key properties of [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane?
[2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane has a molecular weight of 434.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3-fluoro-5-(5-methyl-1,3-diazinan-2-yl)cyclohexyl]phosphane is sourced from PubChem (CID 145325272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).