N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine

C14H10F21N — CID 172565059

IUPACN-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H10F21N/c15-5(16)9(23,24)13(31,32)11(27,28)7(19,20)1-3-36(35)4-2-8(21,22)12(29,30)14(33,34)10(25,26)6(17)18/h5-6H,1-4H2
InChIKeyMDLNLVGJUKPFAP-UHFFFAOYSA-N
MW591.20 g/mol
LogP7.57
Rot. Bonds14

About N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine

N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine (PubChem CID 172565059) has the molecular formula C14H10F21N and a molecular weight of 591.20 g/mol. Its IUPAC name is N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine.

Molecular Properties

Compound NameN-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine
PubChem CID172565059
Molecular FormulaC14H10F21N
Molecular Weight591.20 g/mol
Exact Mass591.05
IUPAC NameN-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H10F21N/c15-5(16)9(23,24)13(31,32)11(27,28)7(19,20)1-3-36(35)4-2-8(21,22)12(29,30)14(33,34)10(25,26)6(17)18/h5-6H,1-4H2
InChIKeyMDLNLVGJUKPFAP-UHFFFAOYSA-N
XLogP7.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.20
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine?
The IUPAC name of N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine (CID 172565059) is N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine.
What is the SMILES notation for N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine?
The canonical SMILES for N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine?
The InChIKey is MDLNLVGJUKPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F21N/c15-5(16)9(23,24)13(31,32)11(27,28)7(19,20)1-3-36(35)4-2-8(21,22)12(29,30)14(33,34)10(25,26)6(17)18/h5-6H,1-4H2.
What are the key properties of N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine?
N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine has a molecular weight of 591.20 g/mol, XLogP of 7.57, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine is sourced from PubChem (CID 172565059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).