1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine

C10H11F5NP — CID 142152838

IUPAC1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C(F)(F)F)cc(C(F)(F)P)c1
InChIInChI=1S/C10H11F5NP/c1-16-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)17/h2-4,16H,5,17H2,1H3
InChIKeyXBLLCDWKSDRFDJ-UHFFFAOYSA-N
MW271.17 g/mol
LogP3.35
Rot. Bonds3

About 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine

1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 142152838) has the molecular formula C10H11F5NP and a molecular weight of 271.17 g/mol. Its IUPAC name is 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID142152838
Molecular FormulaC10H11F5NP
Molecular Weight271.17 g/mol
Exact Mass271.05
IUPAC Name1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C(F)(F)F)cc(C(F)(F)P)c1
InChIInChI=1S/C10H11F5NP/c1-16-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)17/h2-4,16H,5,17H2,1H3
InChIKeyXBLLCDWKSDRFDJ-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-ditert-butylphenyl)-N-methylmethanamine
CID 59420108
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
2-N,4-N,6-N-tris[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 162538922
1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 159168740
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
2,5-bis[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclohexa-2,5-diene-1,4-dione
CID 130476118
(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide
CID 90256548
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 166182708

Frequently Asked Questions

What is the IUPAC name of 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 142152838) is 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine is CNCc1cc(C(F)(F)F)cc(C(F)(F)P)c1.
What is the InChIKey of 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is XBLLCDWKSDRFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5NP/c1-16-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)17/h2-4,16H,5,17H2,1H3.
What are the key properties of 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 271.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 142152838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).