1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine

C7H2F15N — CID 22348768

IUPAC1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine
SMILESNC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F15N/c8-1(9,3(12,13)6(17,18)19)2(10,11)5(16,23)4(14,15)7(20,21)22/h23H2
InChIKeyXXTCVJFKQRFEIW-UHFFFAOYSA-N
MW385.07 g/mol
LogP4.28
Rot. Bonds4

About 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine

1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine (PubChem CID 22348768) has the molecular formula C7H2F15N and a molecular weight of 385.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine.

Molecular Properties

Compound Name1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine
PubChem CID22348768
Molecular FormulaC7H2F15N
Molecular Weight385.07 g/mol
Exact Mass384.99
IUPAC Name1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine
SMILESNC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F15N/c8-1(9,3(12,13)6(17,18)19)2(10,11)5(16,23)4(14,15)7(20,21)22/h23H2
InChIKeyXXTCVJFKQRFEIW-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.07
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine?
The IUPAC name of 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine (CID 22348768) is 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine.
What is the SMILES notation for 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine?
The canonical SMILES for 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine is NC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine?
The InChIKey is XXTCVJFKQRFEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F15N/c8-1(9,3(12,13)6(17,18)19)2(10,11)5(16,23)4(14,15)7(20,21)22/h23H2.
What are the key properties of 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine?
1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine has a molecular weight of 385.07 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-3-amine is sourced from PubChem (CID 22348768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).