1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine

C11F23N — CID 10231983

IUPAC1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F23N/c12-1(8(24,25)26)2(13,14)4(17,18)7(23,5(19,20)3(1,15)16)35(11(32,33)34)10(30,31)6(21,22)9(27,28)29
InChIKeyPVOLXNKAVSPSJH-UHFFFAOYSA-N
MW583.08 g/mol
LogP7.09
Rot. Bonds3

About 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine

1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine (PubChem CID 10231983) has the molecular formula C11F23N and a molecular weight of 583.08 g/mol. Its IUPAC name is 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine
PubChem CID10231983
Molecular FormulaC11F23N
Molecular Weight583.08 g/mol
Exact Mass582.97
IUPAC Name1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11F23N/c12-1(8(24,25)26)2(13,14)4(17,18)7(23,5(19,20)3(1,15)16)35(11(32,33)34)10(30,31)6(21,22)9(27,28)29
InChIKeyPVOLXNKAVSPSJH-UHFFFAOYSA-N
XLogP7.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.08
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine (CID 10231983) is 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PVOLXNKAVSPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F23N/c12-1(8(24,25)26)2(13,14)4(17,18)7(23,5(19,20)3(1,15)16)35(11(32,33)34)10(30,31)6(21,22)9(27,28)29.
What are the key properties of 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine?
1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 583.08 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,5,5,6,6-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)-N,4-bis(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 10231983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).