N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine

C9H21F3NP — CID 23418081

IUPACN-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine
SMILESCCCCN(CCCC)P(C)(F)(F)F
InChIInChI=1S/C9H21F3NP/c1-4-6-8-13(9-7-5-2)14(3,10,11)12/h4-9H2,1-3H3
InChIKeyBHUAISBKBBOYHK-UHFFFAOYSA-N
MW231.24 g/mol
LogP4.64
Rot. Bonds7

About N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine

N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine (PubChem CID 23418081) has the molecular formula C9H21F3NP and a molecular weight of 231.24 g/mol. Its IUPAC name is N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine
PubChem CID23418081
Molecular FormulaC9H21F3NP
Molecular Weight231.24 g/mol
Exact Mass231.14
IUPAC NameN-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine
SMILESCCCCN(CCCC)P(C)(F)(F)F
InChIInChI=1S/C9H21F3NP/c1-4-6-8-13(9-7-5-2)14(3,10,11)12/h4-9H2,1-3H3
InChIKeyBHUAISBKBBOYHK-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 54.64
H-Bond Donors ≤ 50
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 N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine?
The IUPAC name of N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine (CID 23418081) is N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine is CCCCN(CCCC)P(C)(F)(F)F.
What is the InChIKey of N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine?
The InChIKey is BHUAISBKBBOYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21F3NP/c1-4-6-8-13(9-7-5-2)14(3,10,11)12/h4-9H2,1-3H3.
What are the key properties of N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine?
N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine has a molecular weight of 231.24 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine is sourced from PubChem (CID 23418081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).