N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline

C16H10F9N — CID 14926288

IUPACN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H10F9N/c17-13(18,15(21,22)23)14(19,20)16(24,25)26(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyHKWASUXFVDMDTK-UHFFFAOYSA-N
MW387.25 g/mol
LogP6.25
Rot. Bonds5

About N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline

N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline (PubChem CID 14926288) has the molecular formula C16H10F9N and a molecular weight of 387.25 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline
PubChem CID14926288
Molecular FormulaC16H10F9N
Molecular Weight387.25 g/mol
Exact Mass387.07
IUPAC NameN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H10F9N/c17-13(18,15(21,22)23)14(19,20)16(24,25)26(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyHKWASUXFVDMDTK-UHFFFAOYSA-N
XLogP6.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.25
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1,2,2,3,3,4,4,4-octafluoro-1-phenylbutyl)benzene
CID 139761767
[N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)anilino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87902046
N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline
CID 4672414
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methylaniline
CID 158801377
1,1,1,3,3,3-hexafluoro-2-N,2-N'-dimethyl-2-N,2-N'-diphenylpropane-2,2-diamine
CID 161199121
(2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 159558431
1,1,2,2,3,3,4,4,4-nonafluorobutyl(diphenyl)-λ3-iodane
CID 151399334
1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane
CID 175593186
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1,1-diphenyldecyl)phosphane
CID 87504522
N-iodo-N-(trifluoromethyl)aniline
CID 139392066
N-phenyl-N-(2,3,3-trimethylbutan-2-yl)aniline
CID 174956285
N-chloro-N-(trifluoromethyl)aniline
CID 87317257

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline?
The IUPAC name of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline (CID 14926288) is N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline.
What is the SMILES notation for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline?
The canonical SMILES for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline?
The InChIKey is HKWASUXFVDMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F9N/c17-13(18,15(21,22)23)14(19,20)16(24,25)26(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline?
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline has a molecular weight of 387.25 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline is sourced from PubChem (CID 14926288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).