1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine

C5H6F7N — CID 170273224

IUPAC1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F7N/c1-13(2)5(11,12)3(6,7)4(8,9)10/h1-2H3
InChIKeyLWPDSXYJVPOUPV-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.34
Rot. Bonds2

About 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine

1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine (PubChem CID 170273224) has the molecular formula C5H6F7N and a molecular weight of 213.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine
PubChem CID170273224
Molecular FormulaC5H6F7N
Molecular Weight213.10 g/mol
Exact Mass213.04
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F7N/c1-13(2)5(11,12)3(6,7)4(8,9)10/h1-2H3
InChIKeyLWPDSXYJVPOUPV-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.34
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

1,1,2,3,3,4,4,5,5,5-decafluoro-N,N,2-trimethylpentan-1-amine
CID 19761920
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine
CID 19898566
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,2,2,3,3,4,4-octafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 90441308
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
N,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
CID 15932893
1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine
CID 174739856
ethane;1,1,1,2,2,3,3-heptafluorobutane
CID 170760942
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine (CID 170273224) is 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine is CN(C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine?
The InChIKey is LWPDSXYJVPOUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F7N/c1-13(2)5(11,12)3(6,7)4(8,9)10/h1-2H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine?
1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine has a molecular weight of 213.10 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170273224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).