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

C3H2F7N — CID 173049821

IUPACN,1,1,2,2,3,3-heptafluoropropan-1-amine
SMILESFNC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C3H2F7N/c4-1(5)2(6,7)3(8,9)11-10/h1,11H
InChIKeyYPHYWBJJTVSKFM-UHFFFAOYSA-N
MW185.04 g/mol
LogP1.95
Rot. Bonds3

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

N,1,1,2,2,3,3-heptafluoropropan-1-amine (PubChem CID 173049821) has the molecular formula C3H2F7N and a molecular weight of 185.04 g/mol. Its IUPAC name is N,1,1,2,2,3,3-heptafluoropropan-1-amine.

Molecular Properties

Compound NameN,1,1,2,2,3,3-heptafluoropropan-1-amine
PubChem CID173049821
Molecular FormulaC3H2F7N
Molecular Weight185.04 g/mol
Exact Mass185.01
IUPAC NameN,1,1,2,2,3,3-heptafluoropropan-1-amine
SMILESFNC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C3H2F7N/c4-1(5)2(6,7)3(8,9)11-10/h1,11H
InChIKeyYPHYWBJJTVSKFM-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.04
LogP ≤ 51.95
H-Bond Donors ≤ 51
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,1,1,2,2,3,3-heptafluoropropan-1-amine?
The IUPAC name of N,1,1,2,2,3,3-heptafluoropropan-1-amine (CID 173049821) is N,1,1,2,2,3,3-heptafluoropropan-1-amine.
What is the SMILES notation for N,1,1,2,2,3,3-heptafluoropropan-1-amine?
The canonical SMILES for N,1,1,2,2,3,3-heptafluoropropan-1-amine is FNC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,1,1,2,2,3,3-heptafluoropropan-1-amine?
The InChIKey is YPHYWBJJTVSKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F7N/c4-1(5)2(6,7)3(8,9)11-10/h1,11H.
What are the key properties of N,1,1,2,2,3,3-heptafluoropropan-1-amine?
N,1,1,2,2,3,3-heptafluoropropan-1-amine has a molecular weight of 185.04 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,2,2,3,3-heptafluoropropan-1-amine is sourced from PubChem (CID 173049821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).