2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline

C9H6F7NO — CID 139854943

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline
SMILESNc1ccccc1OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F7NO/c10-7(11,8(12,13)14)9(15,16)18-6-4-2-1-3-5(6)17/h1-4H,17H2
InChIKeyMQADQVJVNRKNLZ-UHFFFAOYSA-N
MW277.14 g/mol
LogP3.44
Rot. Bonds3

About 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline

2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline (PubChem CID 139854943) has the molecular formula C9H6F7NO and a molecular weight of 277.14 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline
PubChem CID139854943
Molecular FormulaC9H6F7NO
Molecular Weight277.14 g/mol
Exact Mass277.03
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline
SMILESNc1ccccc1OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F7NO/c10-7(11,8(12,13)14)9(15,16)18-6-4-2-1-3-5(6)17/h1-4H,17H2
InChIKeyMQADQVJVNRKNLZ-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-1,1,2,2-tetrafluoroethoxy)aniline
CID 87396327
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene
CID 20658832
4-[4-amino-2-(1,1,2,2,3,3,3-heptafluoropropoxy)phenyl]-3-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline
CID 87342938
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
3-(1,2,2,3,3,3-hexafluoro-1-phenylpropoxy)benzene-1,2-diamine
CID 87963054
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)benzenesulfonic acid
CID 15936168
2-(1-amino-2-methylpropan-2-yl)oxyaniline
CID 117095493
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
2-(1,2,2,3,3,3-hexafluoro-1-phenoxypropyl)aniline
CID 174893224
2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)aniline
CID 174841503
2-[3-[2-[[3-(2-aminophenoxy)phenyl]methyl]-2,3,3,4,4,4-hexafluorobutyl]phenoxy]aniline
CID 87683846

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline (CID 139854943) is 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline is Nc1ccccc1OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline?
The InChIKey is MQADQVJVNRKNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7NO/c10-7(11,8(12,13)14)9(15,16)18-6-4-2-1-3-5(6)17/h1-4H,17H2.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline?
2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline has a molecular weight of 277.14 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline is sourced from PubChem (CID 139854943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).