N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine

C11H18F2NP — CID 23235735

IUPACN-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine
SMILESCCN(CC)P(C)(F)(F)c1ccccc1
InChIInChI=1S/C11H18F2NP/c1-4-14(5-2)15(3,12,13)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyDOGJCHYSGXGIEF-UHFFFAOYSA-N
MW233.24 g/mol
LogP3.52
Rot. Bonds4

About N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine

N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine (PubChem CID 23235735) has the molecular formula C11H18F2NP and a molecular weight of 233.24 g/mol. Its IUPAC name is N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine
PubChem CID23235735
Molecular FormulaC11H18F2NP
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine
SMILESCCN(CC)P(C)(F)(F)c1ccccc1
InChIInChI=1S/C11H18F2NP/c1-4-14(5-2)15(3,12,13)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyDOGJCHYSGXGIEF-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

difluoro-methyl-diphenyl-λ5-phosphane
CID 6421241
CID 71339905
CID 71339905
methyl-(2-methylphenyl)-triphenyl-λ5-phosphane
CID 173273216
chloro-(fluoromethyl)-dimethyl-phenyl-λ5-phosphane
CID 140607648
difluoro-bis(2-methylphenyl)-phenyl-lambda5-phosphane
CID 15182989
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
CID 89016117
CID 89016117
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040
methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
CID 174530893
N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine
CID 14323061
N,N-diethylaniline
CID 7061
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490

Frequently Asked Questions

What is the IUPAC name of N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine?
The IUPAC name of N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine (CID 23235735) is N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine.
What is the SMILES notation for N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine?
The canonical SMILES for N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine is CCN(CC)P(C)(F)(F)c1ccccc1.
What is the InChIKey of N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine?
The InChIKey is DOGJCHYSGXGIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2NP/c1-4-14(5-2)15(3,12,13)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine?
N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine has a molecular weight of 233.24 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine is sourced from PubChem (CID 23235735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).