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

C7H3F14N — CID 175166868

IUPAC1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H3F14N/c8-1(3(11,12)13)2(9,10)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H,22H2
InChIKeyVQYRATBWFPXUON-UHFFFAOYSA-N
MW367.08 g/mol
LogP3.98
Rot. Bonds5

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

1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine (PubChem CID 175166868) has the molecular formula C7H3F14N and a molecular weight of 367.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine
PubChem CID175166868
Molecular FormulaC7H3F14N
Molecular Weight367.08 g/mol
Exact Mass367.00
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine
SMILESNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H3F14N/c8-1(3(11,12)13)2(9,10)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H,22H2
InChIKeyVQYRATBWFPXUON-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.08
LogP ≤ 53.98
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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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptan-1-amine
CID 18927061
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexan-1-amine
CID 21650787
1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptan-3-amine
CID 22348768
1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptan-2-amine
CID 22349061
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-Nonadecafluorodecan-1-amine
CID 54167082
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-Pentadecafluorooctan-1-amine
CID 54203807
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Hexadecafluorooctan-1-amine
CID 87348593
1,1,2,2,3,3,4,4,5,5,6,6,7-Tridecafluoroheptan-1-amine
CID 87423237
1,1,2,2,3,3,4,4,5,5,7,7,7-Tridecafluoroheptan-1-amine
CID 87423241
1,1,2,2,3,3,4,4,5-Nonafluoropentan-1-amine
CID 87462338
1,1,2,2,3,3,5,5,5-Nonafluoropentan-1-amine
CID 87462341
1,1,2,2,3,3,4,4,5,6,7,8,8-Tridecafluorooctan-1-amine
CID 87524931

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine (CID 175166868) is 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine is NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine?
The InChIKey is VQYRATBWFPXUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F14N/c8-1(3(11,12)13)2(9,10)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H,22H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine?
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine has a molecular weight of 367.08 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine is sourced from PubChem (CID 175166868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).