N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide

C21H23F17N2O2 — CID 3427397

IUPACN,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide
SMILES[H]/N=C(\N(C1CCCCC1)C1CCCCC1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H23F17N2O2/c22-14(17(26,27)28,13(39)40(11-7-3-1-4-8-11)12-9-5-2-6-10-12)41-21(37,38)16(25,19(32,33)34)42-20(35,36)15(23,24)18(29,30)31/h11-12,39H,1-10H2/b39-13-
InChIKeyFRSCKBDQARRRNS-FCIITPAPSA-N
MW658.39 g/mol
LogP8.80
Rot. Bonds9

About N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide

N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide (PubChem CID 3427397) has the molecular formula C21H23F17N2O2 and a molecular weight of 658.39 g/mol. Its IUPAC name is N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide
PubChem CID3427397
Molecular FormulaC21H23F17N2O2
Molecular Weight658.39 g/mol
Exact Mass658.15
IUPAC NameN,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide
SMILES[H]/N=C(\N(C1CCCCC1)C1CCCCC1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H23F17N2O2/c22-14(17(26,27)28,13(39)40(11-7-3-1-4-8-11)12-9-5-2-6-10-12)41-21(37,38)16(25,19(32,33)34)42-20(35,36)15(23,24)18(29,30)31/h11-12,39H,1-10H2/b39-13-
InChIKeyFRSCKBDQARRRNS-FCIITPAPSA-N
XLogP8.80
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.39
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide?
The IUPAC name of N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide (CID 3427397) is N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide.
What is the SMILES notation for N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide?
The canonical SMILES for N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide is [H]/N=C(\N(C1CCCCC1)C1CCCCC1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide?
The InChIKey is FRSCKBDQARRRNS-FCIITPAPSA-N. The full InChI is InChI=1S/C21H23F17N2O2/c22-14(17(26,27)28,13(39)40(11-7-3-1-4-8-11)12-9-5-2-6-10-12)41-21(37,38)16(25,19(32,33)34)42-20(35,36)15(23,24)18(29,30)31/h11-12,39H,1-10H2/b39-13-.
What are the key properties of N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide?
N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide has a molecular weight of 658.39 g/mol, XLogP of 8.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanimidamide is sourced from PubChem (CID 3427397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).