1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine

C14H12F4NP — CID 140922819

IUPAC1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine
SMILESCN(P)C(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H12F4NP/c1-19(20)14(8-2-10(15)6-11(16)3-8)9-4-12(17)7-13(18)5-9/h2-7,14H,20H2,1H3
InChIKeyGFAKUGUSHMYOSQ-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.05
Rot. Bonds3

About 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine

1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine (PubChem CID 140922819) has the molecular formula C14H12F4NP and a molecular weight of 301.22 g/mol. Its IUPAC name is 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine.

Molecular Properties

Compound Name1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine
PubChem CID140922819
Molecular FormulaC14H12F4NP
Molecular Weight301.22 g/mol
Exact Mass301.06
IUPAC Name1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine
SMILESCN(P)C(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H12F4NP/c1-19(20)14(8-2-10(15)6-11(16)3-8)9-4-12(17)7-13(18)5-9/h2-7,14H,20H2,1H3
InChIKeyGFAKUGUSHMYOSQ-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.05
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

carboxy-[1-(3,5-difluorophenyl)ethyl]carbamic acid
CID 66955357
1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046201
2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid
CID 106531816
(3,5-difluorophenyl)methanediol
CID 142893041
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
2-(3,5-difluorophenyl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244846
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068
1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070361
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
CID 97051252
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927
1-(3,5-difluorophenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 106528519

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine?
The IUPAC name of 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine (CID 140922819) is 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine.
What is the SMILES notation for 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine?
The canonical SMILES for 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine is CN(P)C(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine?
The InChIKey is GFAKUGUSHMYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4NP/c1-19(20)14(8-2-10(15)6-11(16)3-8)9-4-12(17)7-13(18)5-9/h2-7,14H,20H2,1H3.
What are the key properties of 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine?
1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine has a molecular weight of 301.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3,5-difluorophenyl)-N-methyl-N-phosphanylmethanamine is sourced from PubChem (CID 140922819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).