2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline

C9H9F5NP — CID 143122125

IUPAC2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline
SMILESCc1cc(C(F)(F)F)c(N)c(C(F)(F)P)c1
InChIInChI=1S/C9H9F5NP/c1-4-2-5(8(10,11)12)7(15)6(3-4)9(13,14)16/h2-3H,15-16H2,1H3
InChIKeyTYJZWXJIKGIGQS-UHFFFAOYSA-N
MW257.14 g/mol
LogP3.52
Rot. Bonds1

About 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline

2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline (PubChem CID 143122125) has the molecular formula C9H9F5NP and a molecular weight of 257.14 g/mol. Its IUPAC name is 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline
PubChem CID143122125
Molecular FormulaC9H9F5NP
Molecular Weight257.14 g/mol
Exact Mass257.04
IUPAC Name2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline
SMILESCc1cc(C(F)(F)F)c(N)c(C(F)(F)P)c1
InChIInChI=1S/C9H9F5NP/c1-4-2-5(8(10,11)12)7(15)6(3-4)9(13,14)16/h2-3H,15-16H2,1H3
InChIKeyTYJZWXJIKGIGQS-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2,6-bis(trifluoromethyl)aniline
CID 58782199
2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
CID 143122644
5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 119021771
1-[4-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 121399584
2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline
CID 143122501
3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline
CID 176942392
6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 130051716
1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
CID 135743181
2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol
CID 21416993

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline?
The IUPAC name of 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline (CID 143122125) is 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline is Cc1cc(C(F)(F)F)c(N)c(C(F)(F)P)c1.
What is the InChIKey of 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline?
The InChIKey is TYJZWXJIKGIGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5NP/c1-4-2-5(8(10,11)12)7(15)6(3-4)9(13,14)16/h2-3H,15-16H2,1H3.
What are the key properties of 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline?
2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline has a molecular weight of 257.14 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 143122125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).