N,N,1,1,2,2,3-heptafluoropropan-1-amine

C3H2F7N — CID 130266790

IUPACN,N,1,1,2,2,3-heptafluoropropan-1-amine
SMILESFCC(F)(F)C(F)(F)N(F)F
InChIInChI=1S/C3H2F7N/c4-1-2(5,6)3(7,8)11(9)10/h1H2
InChIKeyNBBHIVHUTNFUBW-UHFFFAOYSA-N
MW185.04 g/mol
LogP2.26
Rot. Bonds3

About N,N,1,1,2,2,3-heptafluoropropan-1-amine

N,N,1,1,2,2,3-heptafluoropropan-1-amine (PubChem CID 130266790) has the molecular formula C3H2F7N and a molecular weight of 185.04 g/mol. Its IUPAC name is N,N,1,1,2,2,3-heptafluoropropan-1-amine.

Molecular Properties

Compound NameN,N,1,1,2,2,3-heptafluoropropan-1-amine
PubChem CID130266790
Molecular FormulaC3H2F7N
Molecular Weight185.04 g/mol
Exact Mass185.01
IUPAC NameN,N,1,1,2,2,3-heptafluoropropan-1-amine
SMILESFCC(F)(F)C(F)(F)N(F)F
InChIInChI=1S/C3H2F7N/c4-1-2(5,6)3(7,8)11(9)10/h1H2
InChIKeyNBBHIVHUTNFUBW-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.04
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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,1,1,2,2,3-heptafluoropropan-1-amine?
The IUPAC name of N,N,1,1,2,2,3-heptafluoropropan-1-amine (CID 130266790) is N,N,1,1,2,2,3-heptafluoropropan-1-amine.
What is the SMILES notation for N,N,1,1,2,2,3-heptafluoropropan-1-amine?
The canonical SMILES for N,N,1,1,2,2,3-heptafluoropropan-1-amine is FCC(F)(F)C(F)(F)N(F)F.
What is the InChIKey of N,N,1,1,2,2,3-heptafluoropropan-1-amine?
The InChIKey is NBBHIVHUTNFUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F7N/c4-1-2(5,6)3(7,8)11(9)10/h1H2.
What are the key properties of N,N,1,1,2,2,3-heptafluoropropan-1-amine?
N,N,1,1,2,2,3-heptafluoropropan-1-amine has a molecular weight of 185.04 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,2,2,3-heptafluoropropan-1-amine is sourced from PubChem (CID 130266790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).