1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine

C14H22F4NP — CID 146330895

IUPAC1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine
SMILESNC1CCP(C2CC3CCC(F)C(F)C3C2(F)F)CC1
InChIInChI=1S/C14H22F4NP/c15-10-2-1-8-7-11(14(17,18)12(8)13(10)16)20-5-3-9(19)4-6-20/h8-13H,1-7,19H2
InChIKeyNATRYJJWMPLFGU-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.70
Rot. Bonds1

About 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine

1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine (PubChem CID 146330895) has the molecular formula C14H22F4NP and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine.

Molecular Properties

Compound Name1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine
PubChem CID146330895
Molecular FormulaC14H22F4NP
Molecular Weight311.30 g/mol
Exact Mass311.14
IUPAC Name1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine
SMILESNC1CCP(C2CC3CCC(F)C(F)C3C2(F)F)CC1
InChIInChI=1S/C14H22F4NP/c15-10-2-1-8-7-11(14(17,18)12(8)13(10)16)20-5-3-9(19)4-6-20/h8-13H,1-7,19H2
InChIKeyNATRYJJWMPLFGU-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine?
The IUPAC name of 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine (CID 146330895) is 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine.
What is the SMILES notation for 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine?
The canonical SMILES for 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine is NC1CCP(C2CC3CCC(F)C(F)C3C2(F)F)CC1.
What is the InChIKey of 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine?
The InChIKey is NATRYJJWMPLFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4NP/c15-10-2-1-8-7-11(14(17,18)12(8)13(10)16)20-5-3-9(19)4-6-20/h8-13H,1-7,19H2.
What are the key properties of 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine?
1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine has a molecular weight of 311.30 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,5-tetrafluoro-1,2,3a,4,5,6,7,7a-octahydroinden-2-yl)phosphinan-4-amine is sourced from PubChem (CID 146330895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).