(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine

C8H13F7N2 — CID 171210339

IUPAC(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine
SMILESNCCCC[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F7N2/c9-6(10,5(17)3-1-2-4-16)7(11,12)8(13,14)15/h5H,1-4,16-17H2/t5-/m1/s1
InChIKeyDESXZJPHTUCQAF-RXMQYKEDSA-N
MW270.19 g/mol
LogP2.28
Rot. Bonds6

About (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine

(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine (PubChem CID 171210339) has the molecular formula C8H13F7N2 and a molecular weight of 270.19 g/mol. Its IUPAC name is (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine.

Molecular Properties

Compound Name(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine
PubChem CID171210339
Molecular FormulaC8H13F7N2
Molecular Weight270.19 g/mol
Exact Mass270.10
IUPAC Name(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine
SMILESNCCCC[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F7N2/c9-6(10,5(17)3-1-2-4-16)7(11,12)8(13,14)15/h5H,1-4,16-17H2/t5-/m1/s1
InChIKeyDESXZJPHTUCQAF-RXMQYKEDSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
CID 171203123
(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine
CID 171229978
(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride
CID 171210343
21-(trifluoromethyl)hentetracontane-1,41-diamine
CID 150441397
pentacosane-1,13,25-triamine
CID 174653759
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine
CID 155015019
(2S)-3,3,4,4,5,5,5-heptafluoropentan-2-amine
CID 96572524
1-bromohexane-1,6-diamine
CID 174353675
1-bromododecane-1,12-diamine
CID 175488635

Frequently Asked Questions

What is the IUPAC name of (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine?
The IUPAC name of (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine (CID 171210339) is (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine.
What is the SMILES notation for (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine?
The canonical SMILES for (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine is NCCCC[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine?
The InChIKey is DESXZJPHTUCQAF-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13F7N2/c9-6(10,5(17)3-1-2-4-16)7(11,12)8(13,14)15/h5H,1-4,16-17H2/t5-/m1/s1.
What are the key properties of (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine?
(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine has a molecular weight of 270.19 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine is sourced from PubChem (CID 171210339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).