3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline

C11H7F10N — CID 121435203

IUPAC3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline
SMILESNc1cccc(C(F)(C(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C11H7F10N/c12-7(13)8(14,5-2-1-3-6(22)4-5)9(15,16)10(17,18)11(19,20)21/h1-4,7H,22H2
InChIKeyAQIORODZBZOJSI-UHFFFAOYSA-N
MW343.16 g/mol
LogP4.53
Rot. Bonds4

About 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline

3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline (PubChem CID 121435203) has the molecular formula C11H7F10N and a molecular weight of 343.16 g/mol. Its IUPAC name is 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline.

Molecular Properties

Compound Name3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline
PubChem CID121435203
Molecular FormulaC11H7F10N
Molecular Weight343.16 g/mol
Exact Mass343.04
IUPAC Name3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline
SMILESNc1cccc(C(F)(C(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C11H7F10N/c12-7(13)8(14,5-2-1-3-6(22)4-5)9(15,16)10(17,18)11(19,20)21/h1-4,7H,22H2
InChIKeyAQIORODZBZOJSI-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

aniline;3-(trifluoromethyl)aniline
CID 160634583
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3-[cyclopropyl(difluoro)methyl]aniline
CID 83855657
sulfuric acid;3-(trifluoromethyl)aniline
CID 171926683
4-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline
CID 166839779
3-(1,2,2,2-tetrafluoroethyl)aniline
CID 83854117
3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208
3-[(2R)-2-aminobutan-2-yl]aniline
CID 131128672
3-(1-fluoro-2-methylpropan-2-yl)aniline
CID 105433528
3-tert-butylaniline;tert-butylbenzene
CID 158494400
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline;3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
CID 87470163

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline?
The IUPAC name of 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline (CID 121435203) is 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline.
What is the SMILES notation for 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline?
The canonical SMILES for 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline is Nc1cccc(C(F)(C(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline?
The InChIKey is AQIORODZBZOJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F10N/c12-7(13)8(14,5-2-1-3-6(22)4-5)9(15,16)10(17,18)11(19,20)21/h1-4,7H,22H2.
What are the key properties of 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline?
3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline has a molecular weight of 343.16 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,3,3,4,4,5,5,5-decafluoropentan-2-yl)aniline is sourced from PubChem (CID 121435203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).